CID 16205677

90944-21-1

Structural Information

Molecular Formula
C10H13Cl2NO3S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H13Cl2NO3S/c11-6-8-13(9-7-12)17(14,15)16-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
ASBDAMRGKCOHKT-UHFFFAOYSA-N
Compound name
phenyl N,N-bis(2-chloroethyl)sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00661 159.5
[M+Na]+ 319.98855 167.4
[M-H]- 295.99205 164.2
[M+NH4]+ 315.03315 176.9
[M+K]+ 335.96249 163.1
[M+H-H2O]+ 279.99659 154.8
[M+HCOO]- 341.99753 169.9
[M+CH3COO]- 356.01318 199.3
[M+Na-2H]- 317.97400 163.4
[M]+ 296.99878 167.7
[M]- 296.99988 167.7
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.