EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H13F2NO |
| Net Charge | 0 |
| Average Mass | 333.337 |
| Monoisotopic Mass | 333.09652 |
| SMILES | N#CC(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 |
| InChI | InChI=1S/C21H13F2NO/c22-18-9-5-15(6-10-18)20(13-24)14-1-3-16(4-2-14)21(25)17-7-11-19(23)12-8-17/h1-12,20H |
| InChIKey | NSLYLZYECDXPAV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile (CHEBI:105256) is a nitrile (CHEBI:18379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16619 | LINCS |