CID 83679268

2-(5-chloro-1,3-thiazol-4-yl)aceticacid

Structural Information

Molecular Formula

C₅H₄ClNO₂S

SMILES

C1=NC(=C(S1)Cl)CC(=O)O

InChI

InChI=1S/C5H4ClNO2S/c6-5-3(1-4(8)9)7-2-10-5/h2H,1H2,(H,8,9)

InChIKey

UKFZUOHIHGDMNV-UHFFFAOYSA-N

Compound name

2-(5-chloro-1,3-thiazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 176.96513 Da
Monoisotopic Mass: 1.4
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]+	177.97241	133.0
[M+Na]+	199.95435	144.2
[M+NH4]+	194.99895	141.3
[M+K]+	215.92829	138.8
[M-H]-	175.95785	133.0
[M+Na-2H]-	197.93980	137.1
[M]+	176.96458	135.1
[M]-	176.96568	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe