CID 21183959

55842-53-0

Structural Information

Molecular Formula

SMILES

CC1=NC(=CS1)C(=O)Cl

InChI

InChI=1S/C5H4ClNOS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3

InChIKey

KHORPZFSYQUYDV-UHFFFAOYSA-N

Compound name

2-methyl-1,3-thiazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 160.97021 Da
Monoisotopic Mass: 2.2
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]+	161.97749	129.7
[M+Na]+	183.95943	142.0
[M+NH4]+	179.00403	139.0
[M+K]+	199.93337	135.7
[M-H]-	159.96293	130.8
[M+Na-2H]-	181.94488	134.9
[M]+	160.96966	132.4
[M]-	160.97076	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe