CID 11300423

2,2'-bithieno[3,2-b]thiophene

Structural Information

Molecular Formula
C12H6S4
SMILES
C1=CSC2=C1SC(=C2)C3=CC4=C(S3)C=CS4
InChI
InChI=1S/C12H6S4/c1-3-13-9-5-11(15-7(1)9)12-6-10-8(16-12)2-4-14-10/h1-6H
InChIKey
ZDFFDKMGCBNSKY-UHFFFAOYSA-N
Compound name
5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

277.93524 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.942516 165.5
[M+Na]+ 300.924458 185.0
[M-H]- 276.927964 176.9
[M+NH4]+ 295.969063 192.5
[M+K]+ 316.898398 179.4
[M+H-H2O]+ 260.932500 166.7
[M+HCOO]- 322.933441 177.2
[M+CH3COO]- 336.949091 180.9
[M+Na-2H]- 298.909906 165.2
[M]+ 277.93469142 174.6
[M]- 277.93578858 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe