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

61
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 138.1
[M+Na]+ 208.97015 148.1
[M-H]- 184.97365 142.0
[M+NH4]+ 204.01475 162.8
[M+K]+ 224.94409 145.2
[M+H-H2O]+ 168.97819 135.1
[M+HCOO]- 230.97913 150.8
[M+CH3COO]- 244.99478 151.8
[M+Na-2H]- 206.95560 137.5
[M]+ 185.98038 140.5
[M]- 185.98148 140.5
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