CID 3342

Fenoprofen

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

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

InChI

InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)

InChIKey

RDJGLLICXDHJDY-UHFFFAOYSA-N

Compound name

2-(3-phenoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 460
References: 60670
Patents: 242.0943 Da
Monoisotopic Mass: 3.3
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]+	243.10158	153.6
[M+Na]+	265.08352	159.8
[M-H]-	241.08702	159.0
[M+NH4]+	260.12812	169.9
[M+K]+	281.05746	157.0
[M+H-H2O]+	225.09156	146.4
[M+HCOO]-	287.09250	175.0
[M+CH3COO]-	301.10815	190.6
[M+Na-2H]-	263.06897	157.6
[M]+	242.09375	153.9
[M]-	242.09485	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe