CID 13679

Diphenyl sulfoxide

Structural Information

Molecular Formula

C₁₂H₁₀OS

SMILES

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

InChI

InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

JJHHIJFTHRNPIK-UHFFFAOYSA-N

Compound name

benzenesulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 51
References: 10093
Patents: 202.04524 Da
Monoisotopic Mass: 2.1
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]+	203.05252	140.5
[M+Na]+	225.03446	148.5
[M-H]-	201.03796	147.6
[M+NH4]+	220.07906	159.8
[M+K]+	241.00840	144.5
[M+H-H2O]+	185.04250	133.9
[M+HCOO]-	247.04344	159.9
[M+CH3COO]-	261.05909	154.0
[M+Na-2H]-	223.01991	145.4
[M]+	202.04469	141.3
[M]-	202.04579	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe