CID 361864

Thieno[3,2-b]thiophene-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C8H4O4S2
SMILES
C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C8H4O4S2/c9-7(10)5-1-3-4(14-5)2-6(13-3)8(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey
JMURVZFFOUWCNW-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophene-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

227.9551 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96238 146.6
[M+Na]+ 250.94432 157.6
[M-H]- 226.94782 150.0
[M+NH4]+ 245.98892 168.8
[M+K]+ 266.91826 154.0
[M+H-H2O]+ 210.95236 143.7
[M+HCOO]- 272.95330 159.6
[M+CH3COO]- 286.96895 180.1
[M+Na-2H]- 248.92977 145.9
[M]+ 227.95455 152.1
[M]- 227.95565 152.1
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