CID 66287

10169-55-8

Structural Information

Molecular Formula

C₁₄H₁₂OS

SMILES

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

InChI

InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

XUDYHODVSUXRPW-UHFFFAOYSA-N

Compound name

1-(4-phenylsulfanylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 671
Patents: 228.06088 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]+	229.06816	148.8
[M+Na]+	251.05010	163.9
[M+NH4]+	246.09470	159.0
[M+K]+	267.02404	153.6
[M-H]-	227.05360	154.4
[M+Na-2H]-	249.03555	158.8
[M]+	228.06033	153.3
[M]-	228.06143	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe