CID 16205668

N,n-bis(2-chloroethyl)sulfamic acid methyl ester

Structural Information

Molecular Formula
C5H11Cl2NO3S
SMILES
COS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C5H11Cl2NO3S/c1-11-12(9,10)8(4-2-6)5-3-7/h2-5H2,1H3
InChIKey
IDIFKMHWVJCSDX-UHFFFAOYSA-N
Compound name
methyl N,N-bis(2-chloroethyl)sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.98367 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.99095 143.3
[M+Na]+ 257.97289 151.7
[M-H]- 233.97639 145.2
[M+NH4]+ 253.01749 163.3
[M+K]+ 273.94683 148.8
[M+H-H2O]+ 217.98093 140.3
[M+HCOO]- 279.98187 153.5
[M+CH3COO]- 293.99752 189.3
[M+Na-2H]- 255.95834 146.8
[M]+ 234.98312 151.5
[M]- 234.98422 151.5
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.