CID 43156421

878555-97-6

Structural Information

Molecular Formula

C₁₀H₆ClNO₂S

SMILES

C1=CC(=CC(=C1)Cl)C2=NC=C(S2)C(=O)O

InChI

InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)

InChIKey

GMTASVFGLFONMF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 238.98077 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe