CID 119031640

2-(dimethylsulfamoyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₁₀ClNO₄S₂

SMILES

CN(C)S(=O)(=O)CCS(=O)(=O)Cl

InChI

InChI=1S/C4H10ClNO4S2/c1-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3

InChIKey

MXZKTMVWPBZFRV-UHFFFAOYSA-N

Compound name

2-(dimethylsulfamoyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.97398 Da
Monoisotopic Mass: -0.3
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]+	235.981256	144.0
[M+Na]+	257.963198	152.3
[M-H]-	233.966704	146.1
[M+NH4]+	253.007803	163.1
[M+K]+	273.937138	149.2
[M+H-H2O]+	217.971240	140.0
[M+HCOO]-	279.972181	152.5
[M+CH3COO]-	293.987831	187.1
[M+Na-2H]-	255.948646	147.5
[M]+	234.97343142	150.7
[M]-	234.97452858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.