CID 212596

Bis(2-chloroethyl)sulfamyl chloride

Structural Information

Molecular Formula
C4H8Cl3NO2S
SMILES
C(CCl)N(CCCl)S(=O)(=O)Cl
InChI
InChI=1S/C4H8Cl3NO2S/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2
InChIKey
VLCSGRLLYBKYGG-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.93413 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.94141 142.7
[M+Na]+ 261.92335 151.2
[M-H]- 237.92685 143.8
[M+NH4]+ 256.96795 162.3
[M+K]+ 277.89729 147.3
[M+H-H2O]+ 221.93139 140.8
[M+HCOO]- 283.93233 147.5
[M+CH3COO]- 297.94798 189.9
[M+Na-2H]- 259.90880 145.4
[M]+ 238.93358 148.6
[M]- 238.93468 148.6
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.