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 142.3
[M+Na]+ 240.91552 155.7
[M-H]- 216.91902 147.6
[M+NH4]+ 235.96012 167.1
[M+K]+ 256.88946 150.7
[M+H-H2O]+ 200.92356 140.5
[M+HCOO]- 262.92450 153.3
[M+CH3COO]- 276.94015 157.0
[M+Na-2H]- 238.90097 142.3
[M]+ 217.92575 149.5
[M]- 217.92685 149.5
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