CID 20496664

52449-66-8

Structural Information

Molecular Formula
C16H15FO2
SMILES
CC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2F
InChI
InChI=1S/C16H15FO2/c1-11(10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKey
DOGMWDLAWMDDHW-UHFFFAOYSA-N
Compound name
3-[4-(2-fluorophenyl)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

258.10562 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11290 160.1
[M+Na]+ 281.09484 173.2
[M+NH4]+ 276.13944 167.6
[M+K]+ 297.06878 166.2
[M-H]- 257.09834 162.5
[M+Na-2H]- 279.08029 167.6
[M]+ 258.10507 162.6
[M]- 258.10617 162.6
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