CID 2722

Chloroxine

Structural Information

Molecular Formula

C₉H₅Cl₂NO

SMILES

C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1

InChI

InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

InChIKey

WDFKMLRRRCGAKS-UHFFFAOYSA-N

Compound name

5,7-dichloroquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 74
References: 3350
Patents: 212.97482 Da
Monoisotopic Mass: 3.5
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]+	213.982096	136.8
[M+Na]+	235.964038	149.1
[M-H]-	211.967544	138.7
[M+NH4]+	231.008643	156.5
[M+K]+	251.937978	142.9
[M+H-H2O]+	195.972080	132.4
[M+HCOO]-	257.973021	148.9
[M+CH3COO]-	271.988671	150.3
[M+Na-2H]-	233.949486	144.5
[M]+	212.97427142	139.8
[M]-	212.97536858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe