CID 76561

Benzyl phenyl sulfone

Structural Information

Molecular Formula

C₁₃H₁₂O₂S

SMILES

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

InChI

InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

FABCMLOTUSCWOR-UHFFFAOYSA-N

Compound name

benzenesulfonylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 262
Patents: 232.0558 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]+	233.06308	149.5
[M+Na]+	255.04502	164.0
[M+NH4]+	250.08962	158.8
[M+K]+	271.01896	154.4
[M-H]-	231.04852	153.8
[M+Na-2H]-	253.03047	159.6
[M]+	232.05525	153.5
[M]-	232.05635	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe