CID 22823

2-amino-3,4,6-trichlorophenol

Structural Information

Molecular Formula

C₆H₄Cl₃NO

SMILES

C1=C(C(=C(C(=C1Cl)Cl)N)O)Cl

InChI

InChI=1S/C6H4Cl3NO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H,10H2

InChIKey

QQDKXJSYZGJGKJ-UHFFFAOYSA-N

Compound name

2-amino-3,4,6-trichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 197
Patents: 210.93585 Da
Monoisotopic Mass: 3.1
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]+	211.94313	136.2
[M+Na]+	233.92507	148.1
[M-H]-	209.92857	137.4
[M+NH4]+	228.96967	155.8
[M+K]+	249.89901	141.9
[M+H-H2O]+	193.93311	134.4
[M+HCOO]-	255.93405	145.6
[M+CH3COO]-	269.94970	184.9
[M+Na-2H]-	231.91052	139.5
[M]+	210.93530	137.3
[M]-	210.93640	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe