CID 132327630

2126178-40-1

Structural Information

Molecular Formula

C₅H₁₁ClO₄S₂

SMILES

CS(=O)(=O)CCCCS(=O)(=O)Cl

InChI

InChI=1S/C5H11ClO4S2/c1-11(7,8)4-2-3-5-12(6,9)10/h2-5H2,1H3

InChIKey

LKIKZIFMCMYRCK-UHFFFAOYSA-N

Compound name

4-methylsulfonylbutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.97873 Da
Monoisotopic Mass: 0.5
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]+	234.98601	144.9
[M+Na]+	256.96795	153.7
[M-H]-	232.97145	145.6
[M+NH4]+	252.01255	163.9
[M+K]+	272.94189	149.2
[M+H-H2O]+	216.97599	141.4
[M+HCOO]-	278.97693	151.9
[M+CH3COO]-	292.99258	182.0
[M+Na-2H]-	254.95340	147.9
[M]+	233.97818	151.6
[M]-	233.97928	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.