CID 56923678

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

Structural Information

Molecular Formula
C7H3BrO2S2
SMILES
C1=C(SC2=C1SC(=C2)Br)C(=O)O
InChI
InChI=1S/C7H3BrO2S2/c8-6-2-4-3(12-6)1-5(11-4)7(9)10/h1-2H,(H,9,10)
InChIKey
PMZFZHLHTDFWBI-UHFFFAOYSA-N
Compound name
5-bromothieno[3,2-b]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.8758 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.88308 136.4
[M+Na]+ 284.86502 153.0
[M-H]- 260.86852 144.3
[M+NH4]+ 279.90962 162.3
[M+K]+ 300.83896 141.2
[M+H-H2O]+ 244.87306 139.6
[M+HCOO]- 306.87400 150.4
[M+CH3COO]- 320.88965 153.4
[M+Na-2H]- 282.85047 139.6
[M]+ 261.87525 160.0
[M]- 261.87635 160.0
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