CID 3088077

Brn 5579865

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C10H13ClN2O4S/c1-13(9-5-3-2-4-6-9)18(15,16)12-10(14)17-8-7-11/h2-6H,7-8H2,1H3,(H,12,14)
InChIKey
QCLQSZPMJMQWSB-UHFFFAOYSA-N
Compound name
2-chloroethyl N-[methyl(phenyl)sulfamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.035716 160.5
[M+Na]+ 315.017658 167.0
[M-H]- 291.021164 165.5
[M+NH4]+ 310.062263 177.0
[M+K]+ 330.991598 164.4
[M+H-H2O]+ 275.025700 154.4
[M+HCOO]- 337.026641 176.2
[M+CH3COO]- 351.042291 200.6
[M+Na-2H]- 313.003106 164.7
[M]+ 292.02789142 166.8
[M]- 292.02898858 166.8
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.