CID 3391107

Quinoxyfen

Structural Information

Molecular Formula

C₁₅H₈Cl₂FNO

SMILES

C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F

InChI

InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H

InChIKey

WRPIRSINYZBGPK-UHFFFAOYSA-N

Compound name

5,7-dichloro-4-(4-fluorophenoxy)quinoline

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 27
References: 29494
Patents: 306.9967 Da
Monoisotopic Mass: 5.1
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]+	308.003976	161.8
[M+Na]+	329.985918	174.3
[M-H]-	305.989424	166.5
[M+NH4]+	325.030523	178.0
[M+K]+	345.959858	166.7
[M+H-H2O]+	289.993960	153.6
[M+HCOO]-	351.994901	173.6
[M+CH3COO]-	366.010551	174.0
[M+Na-2H]-	327.971366	167.7
[M]+	306.99615142	166.0
[M]-	306.99724858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe