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]+ 293.03572 160.5
[M+Na]+ 315.01766 167.0
[M-H]- 291.02116 165.5
[M+NH4]+ 310.06226 177.0
[M+K]+ 330.99160 164.4
[M+H-H2O]+ 275.02570 154.4
[M+HCOO]- 337.02664 176.2
[M+CH3COO]- 351.04229 200.6
[M+Na-2H]- 313.00311 164.7
[M]+ 292.02789 166.8
[M]- 292.02899 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.