CID 69282

Dibenzyl sulfone

Structural Information

Molecular Formula

C₁₄H₁₄O₂S

SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

AWHNUHMUCGRKRA-UHFFFAOYSA-N

Compound name

benzylsulfonylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1281
Patents: 246.07146 Da
Monoisotopic Mass: 2.6
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]+	247.07874	153.9
[M+Na]+	269.06068	168.2
[M+NH4]+	264.10528	163.0
[M+K]+	285.03462	158.4
[M-H]-	245.06418	158.2
[M+Na-2H]-	267.04613	163.7
[M]+	246.07091	157.8
[M]-	246.07201	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe