CID 14947136

89979-13-5

Structural Information

Molecular Formula

C₈H₈ClNO₄S

SMILES

C1=CC=C(C=C1)COC(=O)NS(=O)(=O)Cl

InChI

InChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChIKey

BCSYQDOKTDVISP-UHFFFAOYSA-N

Compound name

benzyl N-chlorosulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 248.98625 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.99353	149.9
[M+Na]+	271.97547	160.4
[M+NH4]+	267.02007	156.7
[M+K]+	287.94941	153.9
[M-H]-	247.97897	150.0
[M+Na-2H]-	269.96092	155.1
[M]+	248.98570	151.9
[M]-	248.98680	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe