CID 3151587

3-(4-fluorophenyl)-2-phenylpropanoic acid

Structural Information

Molecular Formula
C15H13FO2
SMILES
C1=CC=C(C=C1)C(CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)
InChIKey
LVJVEADPGHXUKQ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

27
Patents

244.08995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09723 153.4
[M+Na]+ 267.07917 159.7
[M-H]- 243.08267 157.3
[M+NH4]+ 262.12377 169.5
[M+K]+ 283.05311 155.7
[M+H-H2O]+ 227.08721 145.3
[M+HCOO]- 289.08815 173.5
[M+CH3COO]- 303.10380 191.2
[M+Na-2H]- 265.06462 156.7
[M]+ 244.08940 151.1
[M]- 244.09050 151.1
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

patents stripe