CID 31386

Diphenyl sulfone

Structural Information

Molecular Formula

C₁₂H₁₀O₂S

SMILES

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

InChI

InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

KZTYYGOKRVBIMI-UHFFFAOYSA-N

Compound name

benzenesulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 42
References: 74442
Patents: 218.04015 Da
Monoisotopic Mass: 2.4
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]+	219.04743	145.1
[M+Na]+	241.02937	159.8
[M+NH4]+	236.07397	154.6
[M+K]+	257.00331	150.5
[M-H]-	217.03287	149.5
[M+Na-2H]-	239.01482	155.4
[M]+	218.03960	149.1
[M]-	218.04070	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe