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

6
Annotation Hits: 42
References: 98010
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]+	219.047426	144.7
[M+Na]+	241.029368	153.5
[M-H]-	217.032874	151.9
[M+NH4]+	236.073973	163.4
[M+K]+	257.003308	149.4
[M+H-H2O]+	201.037410	138.3
[M+HCOO]-	263.038351	164.0
[M+CH3COO]-	277.054001	182.7
[M+Na-2H]-	239.014816	151.3
[M]+	218.03960142	146.3
[M]-	218.04069858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe