CID 92290

3,4-dichloro-n-hydroxyaniline

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

C1=CC(=C(C=C1NO)Cl)Cl

InChI

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

InChIKey

AKSIQQBEDAZPLD-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 51
Patents: 176.97482 Da
Monoisotopic Mass: 2.9
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	129.6
[M+Na]+	199.964038	139.9
[M-H]-	175.967544	131.9
[M+NH4]+	195.008643	150.5
[M+K]+	215.937978	134.8
[M+H-H2O]+	159.972080	126.5
[M+HCOO]-	221.973021	145.2
[M+CH3COO]-	235.988671	177.5
[M+Na-2H]-	197.949486	136.5
[M]+	176.97427142	130.9
[M]-	176.97536858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe