CID 611297

Phenyl styryl sulfide

Structural Information

Molecular Formula

C₁₄H₁₂S

SMILES

C1=CC=C(C=C1)C=CSC2=CC=CC=C2

InChI

InChI=1S/C14H12S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-12H

InChIKey

NCSYOCXYJXZCGQ-UHFFFAOYSA-N

Compound name

2-phenylethenylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 212.06598 Da
Monoisotopic Mass: 4.4
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]+	213.07326	145.7
[M+Na]+	235.05520	161.3
[M+NH4]+	230.09980	156.6
[M+K]+	251.02914	149.4
[M-H]-	211.05870	151.9
[M+Na-2H]-	233.04065	156.7
[M]+	212.06543	150.5
[M]-	212.06653	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe