CID 139087

10058-38-5

Structural Information

Molecular Formula

C₁₀H₇NO₂S

SMILES

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

InChI

InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)

InChIKey

LCALUFNLWHYTKX-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 229
Patents: 205.01974 Da
Monoisotopic Mass: 2.5
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]+	206.02702	142.0
[M+Na]+	228.00896	154.6
[M+NH4]+	223.05356	150.6
[M+K]+	243.98290	148.5
[M-H]-	204.01246	144.8
[M+Na-2H]-	225.99441	149.3
[M]+	205.01919	145.0
[M]-	205.02029	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe