CID 2778915

2-(phenylthio)thiophene

Structural Information

Molecular Formula

C₁₀H₈S₂

SMILES

C1=CC=C(C=C1)SC2=CC=CS2

InChI

InChI=1S/C10H8S2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H

InChIKey

JQTBWKNYWACCRU-UHFFFAOYSA-N

Compound name

2-phenylsulfanylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 467
Patents: 192.00674 Da
Monoisotopic Mass: 4.0
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]+	193.01402	136.9
[M+Na]+	214.99596	146.9
[M-H]-	190.99946	144.3
[M+NH4]+	210.04056	159.3
[M+K]+	230.96990	142.3
[M+H-H2O]+	175.00400	131.7
[M+HCOO]-	237.00494	153.1
[M+CH3COO]-	251.02059	151.1
[M+Na-2H]-	212.98141	138.9
[M]+	192.00619	139.1
[M]-	192.00729	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe