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 151.7
[M+Na]+ 262.99488 162.5
[M+NH4]+ 258.03948 158.9
[M+K]+ 278.96882 156.5
[M-H]- 238.99838 151.9
[M+Na-2H]- 260.98033 156.7
[M]+ 240.00511 153.5
[M]- 240.00621 153.5
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