CID 737206

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

Structural Information

Molecular Formula
C7H4OS2
SMILES
C1=CSC2=C1SC(=C2)C=O
InChI
InChI=1S/C7H4OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-4H
InChIKey
JKVPCDAKZCFJBU-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

167.97035 Da
Monoisotopic Mass

2.5
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

patents stripe