CID 67111556

4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H6O2S2
SMILES
C1C2=C(CS1)SC(=C2)C(=O)O
InChI
InChI=1S/C7H6O2S2/c8-7(9)5-1-4-2-10-3-6(4)11-5/h1H,2-3H2,(H,8,9)
InChIKey
RBINIIIGSUWMLQ-UHFFFAOYSA-N
Compound name
4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

185.98093 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98821 136.6
[M+Na]+ 208.97015 145.2
[M+NH4]+ 204.01475 146.3
[M+K]+ 224.94409 140.0
[M-H]- 184.97365 137.6
[M+Na-2H]- 206.95560 138.6
[M]+ 185.98038 138.8
[M]- 185.98148 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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