CID 137937911

3-amino-2-(difluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
C1=CC(=C(C(=C1)N)C(F)F)C(=O)O
InChI
InChI=1S/C8H7F2NO2/c9-7(10)6-4(8(12)13)2-1-3-5(6)11/h1-3,7H,11H2,(H,12,13)
InChIKey
FVLKOWVLIHUBDZ-UHFFFAOYSA-N
Compound name
3-amino-2-(difluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 137.6
[M+Na]+ 210.03370 146.6
[M+NH4]+ 205.07830 143.4
[M+K]+ 226.00764 142.8
[M-H]- 186.03720 135.8
[M+Na-2H]- 208.01915 141.3
[M]+ 187.04393 137.9
[M]- 187.04503 137.9
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.