CID 2739591

Thieno[2,3-b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H4O2S2
SMILES
C1=CSC2=C1C=C(S2)C(=O)O
InChI
InChI=1S/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9)
InChIKey
JXHSGSLIUHNKRC-UHFFFAOYSA-N
Compound name
thieno[2,3-b]thiophene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

183.96527 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97255 135.8
[M+Na]+ 206.95449 147.9
[M-H]- 182.95799 140.7
[M+NH4]+ 201.99909 160.9
[M+K]+ 222.92843 144.5
[M+H-H2O]+ 166.96253 132.8
[M+HCOO]- 228.96347 151.4
[M+CH3COO]- 242.97912 150.7
[M+Na-2H]- 204.93994 136.8
[M]+ 183.96472 141.0
[M]- 183.96582 141.0
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