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 179.7
[M+Na]+ 368.06939 184.1
[M-H]- 344.07289 185.7
[M+NH4]+ 363.11399 195.2
[M+K]+ 384.04333 180.0
[M+H-H2O]+ 328.07743 173.7
[M+HCOO]- 390.07837 190.9
[M+CH3COO]- 404.09402 204.4
[M+Na-2H]- 366.05484 179.2
[M]+ 345.07962 182.6
[M]- 345.08072 182.6
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.