CID 133057381

Methyl 5-formylthieno[2,3-b]thiophene-2-carboxylate

Structural Information

Molecular Formula
C9H6O3S2
SMILES
COC(=O)C1=CC2=C(S1)SC(=C2)C=O
InChI
InChI=1S/C9H6O3S2/c1-12-8(11)7-3-5-2-6(4-10)13-9(5)14-7/h2-4H,1H3
InChIKey
SEFQAJRTEAPXKV-UHFFFAOYSA-N
Compound name
methyl 2-formylthieno[2,3-b]thiophene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98311 147.6
[M+Na]+ 248.96505 160.0
[M-H]- 224.96855 153.8
[M+NH4]+ 244.00965 171.8
[M+K]+ 264.93899 156.9
[M+H-H2O]+ 208.97309 144.2
[M+HCOO]- 270.97403 164.3
[M+CH3COO]- 284.98968 184.3
[M+Na-2H]- 246.95050 147.6
[M]+ 225.97528 156.1
[M]- 225.97638 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.