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

121
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.