4  3  0  0  0  0  0  0  0  0999 V2000
    9.8000  -14.4900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0124  -15.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2249  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4373  -13.7900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  3  0     0  0
M  END
> <ID>
CHEBI:82416

> <NAME>
Chloroacetonitrile

> <STAR>
2

> <FORMULA>
C2H2ClN

> <MASS>
75.49700

> <MONOISOTOPIC_MASS>
74.98758

> <CHARGE>
0

> <SMILES>
ClCC#N

> <INCHI>
InChI=1S/C2H2ClN/c3-1-2-4/h1H2

> <INCHIKEY>
RENMDAKOXSCIGH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
107-14-2

> <KEGG_COMPOUND_ACCESSION>
C19360

$$$$