CID 43153984

5-(2,6-difluorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H6F2O2S
SMILES
C1=CC(=C(C(=C1)F)C2=CC=C(S2)C(=O)O)F
InChI
InChI=1S/C11H6F2O2S/c12-6-2-1-3-7(13)10(6)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)
InChIKey
PUJMSPLQQOZPTJ-UHFFFAOYSA-N
Compound name
5-(2,6-difluorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.00566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01294 145.5
[M+Na]+ 262.99488 156.0
[M-H]- 238.99838 149.7
[M+NH4]+ 258.03948 165.1
[M+K]+ 278.96882 151.4
[M+H-H2O]+ 223.00292 138.4
[M+HCOO]- 285.00386 162.6
[M+CH3COO]- 299.01951 187.0
[M+Na-2H]- 260.98033 144.9
[M]+ 240.00511 145.6
[M]- 240.00621 145.6
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