CID 3071318

87708-06-3

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C10H13ClN2O4S/c11-6-7-17-10(14)13-18(15,16)12-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,13,14)
InChIKey
ILAYGDOMDTUBRQ-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(benzylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.035716 160.3
[M+Na]+ 315.017658 166.7
[M-H]- 291.021164 163.8
[M+NH4]+ 310.062263 176.1
[M+K]+ 330.991598 162.6
[M+H-H2O]+ 275.025700 154.4
[M+HCOO]- 337.026641 175.6
[M+CH3COO]- 351.042291 197.3
[M+Na-2H]- 313.003106 165.2
[M]+ 292.02789142 165.3
[M]- 292.02898858 165.3
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.