CID 16221386

937816-85-8

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
CC(=O)C1=CC(=C(C=C1N)F)Cl
InChI
InChI=1S/C8H7ClFNO/c1-4(12)5-2-6(9)7(10)3-8(5)11/h2-3H,11H2,1H3
InChIKey
LEGKWOITIUDBDW-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chloro-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02002 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02730 133.5
[M+Na]+ 210.00924 146.3
[M+NH4]+ 205.05384 141.7
[M+K]+ 225.98318 140.2
[M-H]- 186.01274 134.7
[M+Na-2H]- 207.99469 139.6
[M]+ 187.01947 135.8
[M]- 187.02057 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.