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: 196
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	136.4
[M+Na]+	233.92507	151.1
[M+NH4]+	228.96967	145.4
[M+K]+	249.89901	143.9
[M-H]-	209.92857	138.5
[M+Na-2H]-	231.91052	143.0
[M]+	210.93530	139.9
[M]-	210.93640	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe