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]+ 168.97763 131.3
[M+Na]+ 190.95957 144.7
[M-H]- 166.96307 137.7
[M+NH4]+ 186.00417 158.0
[M+K]+ 206.93351 141.3
[M+H-H2O]+ 150.96761 128.2
[M+HCOO]- 212.96855 149.3
[M+CH3COO]- 226.98420 147.3
[M+Na-2H]- 188.94502 133.4
[M]+ 167.96980 137.5
[M]- 167.97090 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.