CID 76910

O-bis(phenylthio)benzene

Structural Information

Molecular Formula

C₁₈H₁₄S₂

SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H14S2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H

InChIKey

GXYUTKVRTNINRK-UHFFFAOYSA-N

Compound name

1,2-bis(phenylsulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 103
Patents: 294.05368 Da
Monoisotopic Mass: 6.1
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]+	295.06096	159.7
[M+Na]+	317.04290	177.0
[M+NH4]+	312.08750	171.5
[M+K]+	333.01684	162.6
[M-H]-	293.04640	168.9
[M+Na-2H]-	315.02835	172.9
[M]+	294.05313	166.3
[M]-	294.05423	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe