CID 2776248

2,4-dimethylthiazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₆ClNO₂S₂

SMILES

CC1=C(SC(=N1)C)S(=O)(=O)Cl

InChI

InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3

InChIKey

GFFJSTHQILQFNQ-UHFFFAOYSA-N

Compound name

2,4-dimethyl-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 474
Patents: 210.95285 Da
Monoisotopic Mass: 2.1
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]+	211.960126	139.4
[M+Na]+	233.942068	151.7
[M-H]-	209.945574	143.2
[M+NH4]+	228.986673	160.8
[M+K]+	249.916008	147.3
[M+H-H2O]+	193.950110	135.7
[M+HCOO]-	255.951051	148.3
[M+CH3COO]-	269.966701	179.6
[M+Na-2H]-	231.927516	140.1
[M]+	210.95230142	145.3
[M]-	210.95339858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe