CID 19612039

6-amino-2,3,4-trifluorobenzoic acid

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=C(C(=C(C(=C1F)F)F)C(=O)O)N
InChI
InChI=1S/C7H4F3NO2/c8-2-1-3(11)4(7(12)13)6(10)5(2)9/h1H,11H2,(H,12,13)
InChIKey
NPOKVVQMFRQBAO-UHFFFAOYSA-N
Compound name
6-amino-2,3,4-trifluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

191.01941 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02669 139.4
[M+Na]+ 214.00863 148.1
[M+NH4]+ 209.05323 144.3
[M+K]+ 229.98257 144.2
[M-H]- 190.01213 136.2
[M+Na-2H]- 211.99408 142.1
[M]+ 191.01886 139.2
[M]- 191.01996 139.2
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

patents stripe