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]+ 239.02850 146.7
[M+Na]+ 261.01044 155.8
[M-H]- 237.01394 150.5
[M+NH4]+ 256.05504 164.4
[M+K]+ 276.98438 151.5
[M+H-H2O]+ 221.01848 139.1
[M+HCOO]- 283.01942 164.9
[M+CH3COO]- 297.03507 187.7
[M+Na-2H]- 258.99589 148.4
[M]+ 238.02067 146.8
[M]- 238.02177 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.