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 157.5
[M+Na]+ 281.09484 164.4
[M-H]- 257.09834 161.6
[M+NH4]+ 276.13944 173.4
[M+K]+ 297.06878 160.2
[M+H-H2O]+ 241.10288 149.5
[M+HCOO]- 303.10382 177.3
[M+CH3COO]- 317.11947 195.4
[M+Na-2H]- 279.08029 159.5
[M]+ 258.10507 156.0
[M]- 258.10617 156.0
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