CID 361865

Thieno[3,2-b]thiophene-2,5-dicarboxaldehyde

Structural Information

Molecular Formula
C8H4O2S2
SMILES
C1=C(SC2=C1SC(=C2)C=O)C=O
InChI
InChI=1S/C8H4O2S2/c9-3-5-1-7-8(11-5)2-6(4-10)12-7/h1-4H
InChIKey
UBKNFAFBINVTOP-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophene-2,5-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

195.96527 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97255 138.7
[M+Na]+ 218.95449 152.3
[M-H]- 194.95799 145.1
[M+NH4]+ 213.99909 164.3
[M+K]+ 234.92843 148.4
[M+H-H2O]+ 178.96253 135.5
[M+HCOO]- 240.96347 156.6
[M+CH3COO]- 254.97912 154.3
[M+Na-2H]- 216.93994 139.8
[M]+ 195.96472 146.2
[M]- 195.96582 146.2
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