Marvin  06280711012D          

  6  4  0  0  0  0            999 V2000
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    0.2063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -0.2063    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5012   -0.2063    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
M  CHG  2   5  -1   6   1
M  END
> <ID>
CHEBI:38699

> <NAME>
sodium fluoroacetate

> <STAR>
3

> <SYNONYM>
Sodium monofluoroacetate; sodium monofluoroacetate; Natriumfluoracetat; fluoroacetic acid sodium salt

> <IUPAC_NAME>
sodium fluoroacetate

> <FORMULA>
C2H2FNaO2

> <MASS>
100.02425

> <MONOISOTOPIC_MASS>
99.99365

> <CHARGE>
0

> <SMILES>
[Na+].[O-]C(=O)CF

> <INCHI>
InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

> <INCHIKEY>
JGFYQVQAXANWJU-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3915223

> <CAS_REGISTRY_NUMBER>
62-74-8

> <GMELIN_REGISTRY_NUMBER>
470376

> <CHEMIDPLUS>
62-74-8

> <KEGG_COMPOUND_ACCESSION>
C18588

$$$$