Mol:BMMCBZ2Pd015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4 10  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  3  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pd015 
NAME	4-Chloro-phenyl-acetonitrile 
FORMULA	C8H6ClN 
EXACTMASS	151.0188 
AVERAGEMASS	151.5926 
SMILES	N#CCc(c1)ccc(Cl)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03679 
M  END