CID 4980371

879070-37-8

Structural Information

Molecular Formula
C11H8FNO2S
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C11H8FNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKey
ZNAHNFKZFMHFQE-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe