CID 2757336

Butane-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₉ClO₂S

SMILES

CCC(C)S(=O)(=O)Cl

InChI

InChI=1S/C4H9ClO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3

InChIKey

WKIXWKIEOCQGAF-UHFFFAOYSA-N

Compound name

butane-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 287
Patents: 156.00117 Da
Monoisotopic Mass: 1.7
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]+	157.00845	125.9
[M+Na]+	178.99039	135.2
[M-H]-	154.99389	127.2
[M+NH4]+	174.03499	148.5
[M+K]+	194.96433	132.9
[M+H-H2O]+	138.99843	123.1
[M+HCOO]-	200.99937	138.7
[M+CH3COO]-	215.01502	172.3
[M+Na-2H]-	176.97584	129.6
[M]+	156.00062	130.5
[M]-	156.00172	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe