CID 21085385

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

Structural Information

Molecular Formula
C10H6ClNO2S
SMILES
C1=CC=C(C(=C1)C2=NC(=CS2)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
BWZOFJBZSUCPSM-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

238.98077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98805 148.3
[M+Na]+ 261.96999 162.0
[M+NH4]+ 257.01459 157.1
[M+K]+ 277.94393 155.1
[M-H]- 237.97349 151.1
[M+Na-2H]- 259.95544 155.4
[M]+ 238.98022 151.7
[M]- 238.98132 151.7
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