CID 67299

4,6-dichlororesorcinol

Structural Information

Molecular Formula

C₆H₄Cl₂O₂

SMILES

C1=C(C(=CC(=C1O)Cl)Cl)O

InChI

InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H

InChIKey

GRLQBYQELUWBIO-UHFFFAOYSA-N

Compound name

4,6-dichlorobenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3070
Patents: 177.95883 Da
Monoisotopic Mass: 2.7
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]+	178.966106	126.7
[M+Na]+	200.948048	138.4
[M-H]-	176.951554	128.2
[M+NH4]+	195.992653	147.5
[M+K]+	216.921988	133.1
[M+H-H2O]+	160.956090	124.5
[M+HCOO]-	222.957031	140.1
[M+CH3COO]-	236.972681	173.4
[M+Na-2H]-	198.933496	132.4
[M]+	177.95828142	128.8
[M]-	177.95937858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe