CID 12503843

2-methylpropane-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₉ClO₂S

SMILES

CC(C)(C)S(=O)(=O)Cl

InChI

InChI=1S/C4H9ClO2S/c1-4(2,3)8(5,6)7/h1-3H3

InChIKey

WFBUQJSXXDVYFZ-UHFFFAOYSA-N

Compound name

2-methylpropane-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 336
Patents: 156.00117 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]+	157.008446	126.7
[M+Na]+	178.990388	136.7
[M-H]-	154.993894	128.3
[M+NH4]+	174.034993	149.5
[M+K]+	194.964328	134.4
[M+H-H2O]+	138.998430	124.4
[M+HCOO]-	200.999371	139.1
[M+CH3COO]-	215.015021	171.2
[M+Na-2H]-	176.975836	132.3
[M]+	156.00062142	131.3
[M]-	156.00171858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe