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]+ 285.067026 159.1
[M+Na]+ 307.048968 162.8
[M-H]- 283.052474 161.5
[M+NH4]+ 302.093573 175.0
[M+K]+ 323.022908 159.7
[M+H-H2O]+ 267.057010 153.7
[M+HCOO]- 329.057951 170.4
[M+CH3COO]- 343.073601 195.6
[M+Na-2H]- 305.034416 161.9
[M]+ 284.05920142 159.7
[M]- 284.06029858 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.