CID 53385

5-fluoro-alpha-methyl-3-biphenylacetic acid

Structural Information

Molecular Formula
C15H13FO2
SMILES
CC(C1=CC(=CC(=C1)C2=CC=CC=C2)F)C(=O)O
InChI
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-13(9-14(16)8-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKey
XWGXYBHCFSEUGR-UHFFFAOYSA-N
Compound name
2-(3-fluoro-5-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.08995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09723 155.5
[M+Na]+ 267.07917 168.8
[M+NH4]+ 262.12377 163.2
[M+K]+ 283.05311 162.1
[M-H]- 243.08267 158.0
[M+Na-2H]- 265.06462 163.3
[M]+ 244.08940 158.1
[M]- 244.09050 158.1
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

No patent data available for this compound.