CID 3033634

Brn 5043979

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₂

SMILES

C1=CC(=CC=C1NO)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO2/c13-8-1-6-12(11(14)7-8)17-10-4-2-9(15-16)3-5-10/h1-7,15-16H

InChIKey

BUJCMVKZULBFON-UHFFFAOYSA-N

Compound name

N-[4-(2,4-dichlorophenoxy)phenyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.00104 Da
Monoisotopic Mass: 4.0
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]+	270.008316	153.3
[M+Na]+	291.990258	163.4
[M-H]-	267.993764	158.6
[M+NH4]+	287.034863	170.4
[M+K]+	307.964198	157.1
[M+H-H2O]+	251.998300	148.1
[M+HCOO]-	313.999241	168.7
[M+CH3COO]-	328.014891	194.2
[M+Na-2H]-	289.975706	159.0
[M]+	269.00049142	156.7
[M]-	269.00158858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.