monofluorobenzene (CHEBI:5115)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	monofluorobenzene

ChEBI ID	CHEBI:5115

Definition	The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C6H5F

Net Charge

Average Mass

96.10230

Monoisotopic Mass

96.03753

InChI

InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

PYLWMHQQBFSUBP-UHFFFAOYSA-N

SMILES

Fc1ccccc1

Roles Classification
Chemical Role(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

ChEBI Ontology
Outgoing	monofluorobenzene (CHEBI:5115) has role NMR chemical shift reference compound (CHEBI:228364) monofluorobenzene (CHEBI:5115) is a monofluorobenzenes (CHEBI:83575)

Incoming	fludiazepam (CHEBI:31618) has functional parent monofluorobenzene (CHEBI:5115) lapatinib (CHEBI:49603) has functional parent monofluorobenzene (CHEBI:5115) paroxetine (CHEBI:7936) has functional parent monofluorobenzene (CHEBI:5115) Ro 320-1195 (CHEBI:45116) has functional parent monofluorobenzene (CHEBI:5115) 2-{[2-(2-chlorophenyl)-2-hydroxyethyl]amino}-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:143873) is a monofluorobenzene (CHEBI:5115)

IUPAC Name

fluorobenzene

Last Modified

09 January 2024