CID 3394

Flurbiprofen

Structural Information

Molecular Formula

C₁₅H₁₃FO₂

SMILES

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

InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

InChIKey

SYTBZMRGLBWNTM-UHFFFAOYSA-N

Compound name

2-(3-fluoro-4-phenylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2602
References: 110815
Patents: 244.08995 Da
Monoisotopic Mass: 4.2
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]+	245.09723	155.5
[M+Na]+	267.07917	168.8
[M+NH4]+	262.12377	163.2
[M+K]+	283.05311	162.1
[M-H]-	243.08267	158.0
[M+Na-2H]-	265.06462	163.3
[M]+	244.08940	158.1
[M]-	244.09050	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe