CID 136063

Thieno[3,2-b]thiophene

Structural Information

Molecular Formula

C₆H₄S₂

SMILES

C1=CSC2=C1SC=C2

InChI

InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H

InChIKey

VJYJJHQEVLEOFL-UHFFFAOYSA-N

Compound name

thieno[3,2-b]thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 20139
Patents: 139.97545 Da
Monoisotopic Mass: 2.7
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]+	140.98273	123.6
[M+Na]+	162.96467	136.6
[M-H]-	138.96817	129.9
[M+NH4]+	158.00927	151.3
[M+K]+	178.93861	133.8
[M+H-H2O]+	122.97271	120.5
[M+HCOO]-	184.97365	141.6
[M+CH3COO]-	198.98930	139.9
[M+Na-2H]-	160.95012	126.6
[M]+	139.97490	128.5
[M]-	139.97600	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe