CID 107793421

2-fluoro-4-[(1,3-thiazol-2-yl)amino]benzoic acid

Structural Information

Molecular Formula
C10H7FN2O2S
SMILES
C1=CC(=C(C=C1NC2=NC=CS2)F)C(=O)O
InChI
InChI=1S/C10H7FN2O2S/c11-8-5-6(1-2-7(8)9(14)15)13-10-12-3-4-16-10/h1-5H,(H,12,13)(H,14,15)
InChIKey
PBWKJVXSTLIJRV-UHFFFAOYSA-N
Compound name
2-fluoro-4-(1,3-thiazol-2-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.02122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.028496 146.7
[M+Na]+ 261.010438 155.8
[M-H]- 237.013944 150.5
[M+NH4]+ 256.055043 164.4
[M+K]+ 276.984378 151.5
[M+H-H2O]+ 221.018480 139.1
[M+HCOO]- 283.019421 164.9
[M+CH3COO]- 297.035071 187.7
[M+Na-2H]- 258.995886 148.4
[M]+ 238.02067142 146.8
[M]- 238.02176858 146.8
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.