CID 2760414

4-phenylthiophenol

Structural Information

Molecular Formula

C₁₂H₁₀S

SMILES

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

InChI

InChI=1S/C12H10S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H

InChIKey

KRVHFFQFZQSNLB-UHFFFAOYSA-N

Compound name

4-phenylbenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1012
Patents: 186.05032 Da
Monoisotopic Mass: 4.1
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]+	187.05760	136.9
[M+Na]+	209.03954	153.3
[M+NH4]+	204.08414	148.4
[M+K]+	225.01348	142.2
[M-H]-	185.04304	143.5
[M+Na-2H]-	207.02499	148.3
[M]+	186.04977	142.0
[M]-	186.05087	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe