CID 71023

4-(phenylthio)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₀OS

SMILES

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

InChI

InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

InChIKey

VDNBWBPUFMZCEW-UHFFFAOYSA-N

Compound name

4-phenylsulfanylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 300
Patents: 214.04524 Da
Monoisotopic Mass: 3.5
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]+	215.05252	144.5
[M+Na]+	237.03446	160.2
[M+NH4]+	232.07906	154.9
[M+K]+	253.00840	149.3
[M-H]-	213.03796	150.3
[M+Na-2H]-	235.01991	155.1
[M]+	214.04469	149.1
[M]-	214.04579	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe