CID 68120

2,2'-bithiophene

Structural Information

Molecular Formula

C₈H₆S₂

SMILES

C1=CSC(=C1)C2=CC=CS2

InChI

InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H

InChIKey

OHZAHWOAMVVGEL-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylthiophene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 144
References: 13828
Patents: 165.99109 Da
Monoisotopic Mass: 3.0
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]+	166.99837	131.6
[M+Na]+	188.98031	143.9
[M-H]-	164.98381	140.1
[M+NH4]+	184.02491	157.1
[M+K]+	204.95425	140.4
[M+H-H2O]+	148.98835	127.3
[M+HCOO]-	210.98929	150.6
[M+CH3COO]-	225.00494	147.4
[M+Na-2H]-	186.96576	132.7
[M]+	165.99054	135.6
[M]-	165.99164	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe