CID 80037

4-amino-2,6-dichlorophenol

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

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

InChI

InChI=1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2

InChIKey

KGEXISHTCZHGFT-UHFFFAOYSA-N

Compound name

4-amino-2,6-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 4300
Patents: 176.97482 Da
Monoisotopic Mass: 2.4
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]+	177.982096	129.9
[M+Na]+	199.964038	141.2
[M-H]-	175.967544	132.1
[M+NH4]+	195.008643	150.9
[M+K]+	215.937978	135.8
[M+H-H2O]+	159.972080	127.2
[M+HCOO]-	221.973021	144.9
[M+CH3COO]-	235.988671	178.0
[M+Na-2H]-	197.949486	135.1
[M]+	176.97427142	130.7
[M]-	176.97536858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe