CID 178795

Quizalofop

Structural Information

Molecular Formula

C₁₇H₁₃ClN₂O₄

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)

InChIKey

ABOOPXYCKNFDNJ-UHFFFAOYSA-N

Compound name

2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 31
References: 24622
Patents: 344.0564 Da
Monoisotopic Mass: 3.6
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]+	345.06368	173.8
[M+Na]+	367.04562	182.6
[M-H]-	343.04912	177.6
[M+NH4]+	362.09022	185.1
[M+K]+	383.01956	177.6
[M+H-H2O]+	327.05366	164.8
[M+HCOO]-	389.05460	187.0
[M+CH3COO]-	403.07025	208.0
[M+Na-2H]-	365.03107	178.5
[M]+	344.05585	179.0
[M]-	344.05695	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe