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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98126 144.0
[M+Na]+ 257.96320 152.3
[M-H]- 233.96670 146.1
[M+NH4]+ 253.00780 163.1
[M+K]+ 273.93714 149.2
[M+H-H2O]+ 217.97124 140.0
[M+HCOO]- 279.97218 152.5
[M+CH3COO]- 293.98783 187.1
[M+Na-2H]- 255.94865 147.5
[M]+ 234.97343 150.7
[M]- 234.97453 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.