CID 71695287

2-(3-fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H5FN2O2S
SMILES
C1=CC(=C(N=C1)C2=NC(=CS2)C(=O)O)F
InChI
InChI=1S/C9H5FN2O2S/c10-5-2-1-3-11-7(5)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKey
KNLXDRWBMCSBJL-UHFFFAOYSA-N
Compound name
2-(3-fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.00557 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01285 145.4
[M+Na]+ 246.99479 157.1
[M+NH4]+ 242.03939 152.4
[M+K]+ 262.96873 151.8
[M-H]- 222.99829 145.7
[M+Na-2H]- 244.98024 151.3
[M]+ 224.00502 147.3
[M]- 224.00612 147.3
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