CID 3013862

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

244.08995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.097226 153.4
[M+Na]+ 267.079168 159.7
[M-H]- 243.082674 157.3
[M+NH4]+ 262.123773 169.5
[M+K]+ 283.053108 155.7
[M+H-H2O]+ 227.087210 145.3
[M+HCOO]- 289.088151 173.5
[M+CH3COO]- 303.103801 191.2
[M+Na-2H]- 265.064616 156.7
[M]+ 244.08940142 151.1
[M]- 244.09049858 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

No literature data available for this compound.

Patent stripe

patents stripe