CID 3071320

Brn 4486967

Structural Information

Molecular Formula
C9H17ClN2O4S
SMILES
C1CCC(CC1)NS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C9H17ClN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h8,11H,1-7H2,(H,12,13)
InChIKey
PWWQTHVOALIPDR-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(cyclohexylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06703 159.1
[M+Na]+ 307.04897 162.8
[M-H]- 283.05247 161.5
[M+NH4]+ 302.09357 175.0
[M+K]+ 323.02291 159.7
[M+H-H2O]+ 267.05701 153.7
[M+HCOO]- 329.05795 170.4
[M+CH3COO]- 343.07360 195.6
[M+Na-2H]- 305.03442 161.9
[M]+ 284.05920 159.7
[M]- 284.06030 159.7
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.