CID 43363555

5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H6Cl2O2S
SMILES
C1=C(SC(=C1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H6Cl2O2S/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey
WHLHVJQEBFYQDE-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.94656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95384 153.7
[M+Na]+ 294.93578 165.1
[M-H]- 270.93928 160.1
[M+NH4]+ 289.98038 173.5
[M+K]+ 310.90972 158.5
[M+H-H2O]+ 254.94382 150.2
[M+HCOO]- 316.94476 163.3
[M+CH3COO]- 330.96041 190.0
[M+Na-2H]- 292.92123 153.1
[M]+ 271.94601 158.9
[M]- 271.94711 158.9
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