CID 165869185

Benzyl n-[2-(chlorosulfonyl)-1-cyclopentylethyl]carbamate

Structural Information

Molecular Formula
C15H20ClNO4S
SMILES
C1CCC(C1)C(CS(=O)(=O)Cl)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H20ClNO4S/c16-22(19,20)11-14(13-8-4-5-9-13)17-15(18)21-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKey
HVPFDTSQHXYZKY-UHFFFAOYSA-N
Compound name
benzyl N-(2-chlorosulfonyl-1-cyclopentylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08017 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08745 177.4
[M+Na]+ 368.06939 185.2
[M+NH4]+ 363.11399 183.8
[M+K]+ 384.04333 180.1
[M-H]- 344.07289 178.6
[M+Na-2H]- 366.05484 181.5
[M]+ 345.07962 179.2
[M]- 345.08072 179.2
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.