CID 8766

Diphenyl sulfide

Structural Information

Molecular Formula

C₁₂H₁₀S

SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey

LTYMSROWYAPPGB-UHFFFAOYSA-N

Compound name

phenylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 59
References: 72986
Patents: 186.05032 Da
Monoisotopic Mass: 4.5
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]+	187.05760	136.4
[M+Na]+	209.03954	144.7
[M-H]-	185.04304	143.5
[M+NH4]+	204.08414	156.7
[M+K]+	225.01348	140.4
[M+H-H2O]+	169.04758	130.0
[M+HCOO]-	231.04852	156.6
[M+CH3COO]-	245.06417	150.3
[M+Na-2H]-	207.02499	142.5
[M]+	186.04977	137.1
[M]-	186.05087	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe