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

11
Patents

217.9263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.933576 142.3
[M+Na]+ 240.915518 155.7
[M-H]- 216.919024 147.6
[M+NH4]+ 235.960123 167.1
[M+K]+ 256.889458 150.7
[M+H-H2O]+ 200.923560 140.5
[M+HCOO]- 262.924501 153.3
[M+CH3COO]- 276.940151 157.0
[M+Na-2H]- 238.900966 142.3
[M]+ 217.92575142 149.5
[M]- 217.92684858 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