CID 10058576

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

Structural Information

Molecular Formula

C₈H₆S₃

SMILES

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

InChI

InChI=1S/C8H6S3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5,9H

InChIKey

ABZATYIPXKNPRZ-UHFFFAOYSA-N

Compound name

5-thiophen-2-ylthiophene-2-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 197.96317 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]+	198.970446	138.5
[M+Na]+	220.952388	152.0
[M-H]-	196.955894	146.7
[M+NH4]+	215.996993	162.8
[M+K]+	236.926328	146.8
[M+H-H2O]+	180.960430	134.7
[M+HCOO]-	242.961371	151.5
[M+CH3COO]-	256.977021	153.4
[M+Na-2H]-	218.937836	137.6
[M]+	197.96262142	142.6
[M]-	197.96371858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe