CID 53386

75852-61-8

Structural Information

Molecular Formula
C15H12ClFO2
SMILES
CC(C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)F)C(=O)O
InChI
InChI=1S/C15H12ClFO2/c1-9(15(18)19)11-6-12(8-14(17)7-11)10-2-4-13(16)5-3-10/h2-9H,1H3,(H,18,19)
InChIKey
SGOZMRCRRSPKOY-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-5-fluorophenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.051 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05828 157.4
[M+Na]+ 301.04022 166.5
[M-H]- 277.04372 161.9
[M+NH4]+ 296.08482 173.8
[M+K]+ 317.01416 160.8
[M+H-H2O]+ 261.04826 150.6
[M+HCOO]- 323.04920 173.1
[M+CH3COO]- 337.06485 197.3
[M+Na-2H]- 299.02567 159.0
[M]+ 278.05045 158.4
[M]- 278.05155 158.4
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

No patent data available for this compound.