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 152.7
[M+Na]+ 267.07917 160.1
[M-H]- 243.08267 157.1
[M+NH4]+ 262.12377 169.3
[M+K]+ 283.05311 156.2
[M+H-H2O]+ 227.08721 145.0
[M+HCOO]- 289.08815 172.9
[M+CH3COO]- 303.10380 192.4
[M+Na-2H]- 265.06462 155.4
[M]+ 244.08940 150.9
[M]- 244.09050 150.9
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.