CID 13255033

Benzyl n-[2-(chlorosulfonyl)ethyl]carbamate

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
CRVCWUXOKRGDGD-UHFFFAOYSA-N
Compound name
benzyl N-(2-chlorosulfonylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

277.01755 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 156.8
[M+Na]+ 300.00677 164.2
[M-H]- 276.01027 160.5
[M+NH4]+ 295.05137 173.7
[M+K]+ 315.98071 160.2
[M+H-H2O]+ 260.01481 151.4
[M+HCOO]- 322.01575 171.1
[M+CH3COO]- 336.03140 192.2
[M+Na-2H]- 297.99222 161.1
[M]+ 277.01700 162.6
[M]- 277.01810 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe