CID 14651972

2-amino-4,6-difluorobenzoic acid

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=C(C=C(C(=C1N)C(=O)O)F)F
InChI
InChI=1S/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKey
TWSZCEBPTKBNBR-UHFFFAOYSA-N
Compound name
2-amino-4,6-difluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

173.02884 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 129.3
[M+Na]+ 196.01806 139.1
[M-H]- 172.02156 129.6
[M+NH4]+ 191.06266 148.8
[M+K]+ 211.99200 136.5
[M+H-H2O]+ 156.02610 122.5
[M+HCOO]- 218.02704 150.9
[M+CH3COO]- 232.04269 179.9
[M+Na-2H]- 194.00351 132.7
[M]+ 173.02829 125.2
[M]- 173.02939 125.2
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