CID 22392581

3-amino-2,6-dichlorophenol

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

C1=CC(=C(C(=C1N)Cl)O)Cl

InChI

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

InChIKey

NMYVUWQZPPDNPV-UHFFFAOYSA-N

Compound name

3-amino-2,6-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 176.97482 Da
Monoisotopic Mass: 2.5
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]+	177.98210	129.0
[M+Na]+	199.96404	143.4
[M+NH4]+	195.00864	138.4
[M+K]+	215.93798	136.6
[M-H]-	175.96754	131.5
[M+Na-2H]-	197.94949	136.2
[M]+	176.97427	132.3
[M]-	176.97537	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe