CID 901371

5-chlorothieno[3,2-b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H3ClO2S2
SMILES
C1=C(SC2=C1SC(=C2)Cl)C(=O)O
InChI
InChI=1S/C7H3ClO2S2/c8-6-2-4-3(12-6)1-5(11-4)7(9)10/h1-2H,(H,9,10)
InChIKey
VIJSYTYAIYFAKN-UHFFFAOYSA-N
Compound name
5-chlorothieno[3,2-b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

217.9263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93358 142.0
[M+Na]+ 240.91552 153.5
[M+NH4]+ 235.96012 152.0
[M+K]+ 256.88946 147.1
[M-H]- 216.91902 143.5
[M+Na-2H]- 238.90097 145.4
[M]+ 217.92575 145.2
[M]- 217.92685 145.2
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

patents stripe