CID 97046960

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

Structural Information

Molecular Formula
C8H4O2S2
SMILES
C1=C(SC2=C1C=C(S2)C=O)C=O
InChI
InChI=1S/C8H4O2S2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-4H
InChIKey
BYRWPDKQHOEMTA-UHFFFAOYSA-N
Compound name
thieno[2,3-b]thiophene-2,5-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.96527 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.972546 138.7
[M+Na]+ 218.954488 152.3
[M-H]- 194.957994 145.1
[M+NH4]+ 213.999093 164.3
[M+K]+ 234.928428 148.4
[M+H-H2O]+ 178.962530 135.5
[M+HCOO]- 240.963471 156.6
[M+CH3COO]- 254.979121 154.3
[M+Na-2H]- 216.939936 139.8
[M]+ 195.96472142 146.2
[M]- 195.96581858 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