CID 91174071

Thieno[3,4-b]thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C7H4OS2
SMILES
C1=C(SC2=CSC=C21)C=O
InChI
InChI=1S/C7H4OS2/c8-2-6-1-5-3-9-4-7(5)10-6/h1-4H
InChIKey
WXFAFCRRQQFVQU-UHFFFAOYSA-N
Compound name
thieno[2,3-c]thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.97035 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.977626 131.3
[M+Na]+ 190.959568 144.7
[M-H]- 166.963074 137.7
[M+NH4]+ 186.004173 158.0
[M+K]+ 206.933508 141.3
[M+H-H2O]+ 150.967610 128.2
[M+HCOO]- 212.968551 149.3
[M+CH3COO]- 226.984201 147.3
[M+Na-2H]- 188.945016 133.4
[M]+ 167.96980142 137.5
[M]- 167.97089858 137.5
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

No patent data available for this compound.