CID 1486890

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

Structural Information

Molecular Formula
C11H8ClNO2S
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO2S/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
XLBHXZVHSAASRX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

252.99643 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00371 151.3
[M+Na]+ 275.98565 162.4
[M-H]- 251.98915 156.8
[M+NH4]+ 271.03025 170.1
[M+K]+ 291.95959 157.0
[M+H-H2O]+ 235.99369 146.0
[M+HCOO]- 297.99463 164.6
[M+CH3COO]- 312.01028 188.0
[M+Na-2H]- 273.97110 151.2
[M]+ 252.99588 155.9
[M]- 252.99698 155.9
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