CID 2788

Clioquinol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

InChIKey

QCDFBFJGMNKBDO-UHFFFAOYSA-N

Compound name

5-chloro-7-iodoquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1236
References: 16397
Patents: 304.91043 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]+	305.91771	143.1
[M+Na]+	327.89965	151.6
[M+NH4]+	322.94425	148.5
[M+K]+	343.87359	147.2
[M-H]-	303.90315	139.7
[M+Na-2H]-	325.88510	138.5
[M]+	304.90988	142.7
[M]-	304.91098	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe