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

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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 148.6
[M+Na]+ 261.01044 159.0
[M+NH4]+ 256.05504 155.7
[M+K]+ 276.98438 153.7
[M-H]- 237.01394 149.9
[M+Na-2H]- 258.99589 154.5
[M]+ 238.02067 150.5
[M]- 238.02177 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.