CID 11335509

Benzenesulfonic anhydride

Structural Information

Molecular Formula

C₁₂H₁₀O₅S₂

SMILES

C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H10O5S2/c13-18(14,11-7-3-1-4-8-11)17-19(15,16)12-9-5-2-6-10-12/h1-10H

InChIKey

MLWPJXZKQOPTKZ-UHFFFAOYSA-N

Compound name

benzenesulfonyl benzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1774
Patents: 297.99698 Da
Monoisotopic Mass: 2.3
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]+	299.00426	164.8
[M+Na]+	320.98620	173.4
[M-H]-	296.98970	171.4
[M+NH4]+	316.03080	179.8
[M+K]+	336.96014	168.7
[M+H-H2O]+	280.99424	158.0
[M+HCOO]-	342.99518	178.0
[M+CH3COO]-	357.01083	192.5
[M+Na-2H]-	318.97165	170.9
[M]+	297.99643	169.1
[M]-	297.99753	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe