CID 52124567

5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO2S
SMILES
CC1=NC(=C(S1)C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C11H8FNO2S/c1-6-13-9(11(14)15)10(16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKey
ODCOWPJBSKLCIC-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
Patents

237.02597 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03325 147.3
[M+Na]+ 260.01519 157.8
[M-H]- 236.01869 151.5
[M+NH4]+ 255.05979 165.8
[M+K]+ 275.98913 153.5
[M+H-H2O]+ 220.02323 140.3
[M+HCOO]- 282.02417 164.2
[M+CH3COO]- 296.03982 186.9
[M+Na-2H]- 258.00064 147.1
[M]+ 237.02542 148.9
[M]- 237.02652 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe