CID 226883

5448-49-7

Structural Information

Molecular Formula

C₅H₅ClN₂OS

SMILES

C1=CSC(=N1)NC(=O)CCl

InChI

InChI=1S/C5H5ClN2OS/c6-3-4(9)8-5-7-1-2-10-5/h1-2H,3H2,(H,7,8,9)

InChIKey

LSDJRBFOXKCGFY-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 119
Patents: 175.98111 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]+	176.98839	133.4
[M+Na]+	198.97033	144.0
[M+NH4]+	194.01493	142.1
[M+K]+	214.94427	138.0
[M-H]-	174.97383	134.6
[M+Na-2H]-	196.95578	138.6
[M]+	175.98056	135.7
[M]-	175.98166	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe