CID 3088073

Brn 5593493

Structural Information

Molecular Formula
C11H15ClN2O4S
SMILES
CC(C1=CC=CC=C1)NS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C11H15ClN2O4S/c1-9(10-5-3-2-4-6-10)13-19(16,17)14-11(15)18-8-7-12/h2-6,9,13H,7-8H2,1H3,(H,14,15)
InChIKey
KGLTWBYGXAFDMI-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(1-phenylethylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0441 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05138 164.7
[M+Na]+ 329.03332 170.3
[M-H]- 305.03682 168.0
[M+NH4]+ 324.07792 179.9
[M+K]+ 345.00726 166.6
[M+H-H2O]+ 289.04136 158.7
[M+HCOO]- 351.04230 178.6
[M+CH3COO]- 365.05795 201.2
[M+Na-2H]- 327.01877 168.0
[M]+ 306.04355 169.5
[M]- 306.04465 169.5
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.