CID 10856328

Phenyl chloranesulfonate

Structural Information

Molecular Formula

C₆H₅ClO₃S

SMILES

C1=CC=C(C=C1)OS(=O)(=O)Cl

InChI

InChI=1S/C6H5ClO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

InChIKey

XBXHEDNNWSJZPK-UHFFFAOYSA-N

Compound name

chlorosulfonyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 417
Patents: 191.9648 Da
Monoisotopic Mass: 2.0
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]+	192.972076	132.2
[M+Na]+	214.954018	142.5
[M-H]-	190.957524	136.8
[M+NH4]+	209.998623	153.2
[M+K]+	230.927958	139.2
[M+H-H2O]+	174.962060	128.2
[M+HCOO]-	236.963001	147.5
[M+CH3COO]-	250.978651	174.7
[M+Na-2H]-	212.939466	138.9
[M]+	191.96425142	137.5
[M]-	191.96534858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe