CID 85856456

[2,2'-bithiophene]-5,5'-dithiol

Structural Information

Molecular Formula

C₈H₆S₄

SMILES

C1=C(SC(=C1)S)C2=CC=C(S2)S

InChI

InChI=1S/C8H6S4/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4,9-10H

InChIKey

KXJOYLBITYGKEJ-UHFFFAOYSA-N

Compound name

5-(5-sulfanylthiophen-2-yl)thiophene-2-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.93524 Da
Monoisotopic Mass: 3.9
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]+	230.94252	147.0
[M+Na]+	252.92446	161.2
[M-H]-	228.92796	154.1
[M+NH4]+	247.96906	169.4
[M+K]+	268.89840	153.7
[M+H-H2O]+	212.93250	143.5
[M+HCOO]-	274.93344	153.7
[M+CH3COO]-	288.94909	160.4
[M+Na-2H]-	250.90991	145.1
[M]+	229.93469	149.5
[M]-	229.93579	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.