CID 10106551

4-hyroxy fenoprofen

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CC(C1=CC(=CC=C1)OC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C15H14O4/c1-10(15(17)18)11-3-2-4-14(9-11)19-13-7-5-12(16)6-8-13/h2-10,16H,1H3,(H,17,18)

InChIKey

RIGQDHFDPVTTEV-UHFFFAOYSA-N

Compound name

2-[3-(4-hydroxyphenoxy)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 258.0892 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.096476	156.6
[M+Na]+	281.078418	163.1
[M-H]-	257.081924	160.9
[M+NH4]+	276.123023	171.7
[M+K]+	297.052358	160.1
[M+H-H2O]+	241.086460	149.5
[M+HCOO]-	303.087401	176.6
[M+CH3COO]-	317.103051	191.5
[M+Na-2H]-	279.063866	159.4
[M]+	258.08865142	156.9
[M]-	258.08974858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.