CID 28859

2-(p-chlorophenyl)-4-methyl-5-thiazoleacetic acid

Structural Information

Molecular Formula
C12H10ClNO2S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)CC(=O)O
InChI
InChI=1S/C12H10ClNO2S/c1-7-10(6-11(15)16)17-12(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKey
PQLZUIFGDGNALU-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

267.0121 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01938 157.4
[M+Na]+ 290.00132 171.0
[M+NH4]+ 285.04592 165.9
[M+K]+ 305.97526 163.9
[M-H]- 266.00482 160.2
[M+Na-2H]- 287.98677 163.7
[M]+ 267.01155 160.9
[M]- 267.01265 160.9
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