CID 2782689

4-(4-fluorophenyl)benzoic acid

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey
LXWNTLBMNCXRQN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

409
Patents

216.05865 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06593 146.5
[M+Na]+ 239.04787 160.6
[M+NH4]+ 234.09247 154.7
[M+K]+ 255.02181 153.6
[M-H]- 215.05137 149.3
[M+Na-2H]- 237.03332 155.2
[M]+ 216.05810 149.3
[M]- 216.05920 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe