CID 3057758

Brn 5576433

Structural Information

Molecular Formula
C16H13FO4
SMILES
CC(C(=O)O)OC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H13FO4/c1-10(16(19)20)21-14-4-2-3-12(9-14)15(18)11-5-7-13(17)8-6-11/h2-10H,1H3,(H,19,20)
InChIKey
JALIBBBDSNYSPD-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorobenzoyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08705 162.2
[M+Na]+ 311.06899 168.8
[M-H]- 287.07249 166.4
[M+NH4]+ 306.11359 176.5
[M+K]+ 327.04293 165.9
[M+H-H2O]+ 271.07703 153.9
[M+HCOO]- 333.07797 181.6
[M+CH3COO]- 347.09362 199.7
[M+Na-2H]- 309.05444 163.2
[M]+ 288.07922 162.3
[M]- 288.08032 162.3
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