fluoroethylcholine (18F)
  CDK     0223171741
null
  9  8  0  0  0  0  0  0  0  0999 V2000
   -0.0020   -1.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -1.8457    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1468   -1.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
M  CHG  1   1   1
M  ISO  1   8  18
M  END
> <ID>
CHEBI:135988

> <NAME>
fluoroethylcholine (18F)

> <STAR>
2

> <FORMULA>
C6H15[18F]NO

> <MASS>
135.192

> <MONOISOTOPIC_MASS>
135.11575

> <CHARGE>
1

> <SMILES>
[N+](CCF)(CCO)(C)C

> <INCHI>
InChI=1S/C6H15FNO/c1-8(2,4-3-7)5-6-9/h9H,3-6H2,1-2H3/q+1/i7-1

> <INCHIKEY>
HVTQGIFBNBMSGE-JZRMKITLSA-N

> <CAS_REGISTRY_NUMBER>
188709-02-6

$$$$