CID 2776248

80466-80-4

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: 426
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]+	211.96013	145.4
[M+Na]+	233.94207	156.6
[M+NH4]+	228.98667	153.7
[M+K]+	249.91601	149.2
[M-H]-	209.94557	145.5
[M+Na-2H]-	231.92752	148.4
[M]+	210.95230	148.1
[M]-	210.95340	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe