CID 138160

Diphenylmethanethiol

Structural Information

Molecular Formula

C₁₃H₁₂S

SMILES

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

InChI

InChI=1S/C13H12S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H

InChIKey

ORKZATPRQQSLDT-UHFFFAOYSA-N

Compound name

diphenylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2374
Patents: 200.06598 Da
Monoisotopic Mass: 3.6
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]+	201.07326	141.5
[M+Na]+	223.05520	156.9
[M+NH4]+	218.09980	152.7
[M+K]+	239.02914	146.2
[M-H]-	199.05870	147.8
[M+Na-2H]-	221.04065	152.5
[M]+	200.06543	146.3
[M]-	200.06653	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe