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]+ 293.03572 160.3
[M+Na]+ 315.01766 166.7
[M-H]- 291.02116 163.8
[M+NH4]+ 310.06226 176.1
[M+K]+ 330.99160 162.6
[M+H-H2O]+ 275.02570 154.4
[M+HCOO]- 337.02664 175.6
[M+CH3COO]- 351.04229 197.3
[M+Na-2H]- 313.00311 165.2
[M]+ 292.02789 165.3
[M]- 292.02899 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.