CID 14053346

4-[(3,5-dichloropyridin-2-yl)oxy]aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O

SMILES

C1=CC(=CC=C1N)OC2=C(C=C(C=N2)Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2

InChIKey

PGVMWEHPHKWCFC-UHFFFAOYSA-N

Compound name

4-[(3,5-dichloro-2-pyridinyl)oxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 254.00137 Da
Monoisotopic Mass: 3.3
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]+	255.008646	150.6
[M+Na]+	276.990588	161.5
[M-H]-	252.994094	155.3
[M+NH4]+	272.035193	167.4
[M+K]+	292.964528	155.3
[M+H-H2O]+	236.998630	144.2
[M+HCOO]-	298.999571	165.5
[M+CH3COO]-	313.015221	163.3
[M+Na-2H]-	274.976036	156.2
[M]+	254.00082142	153.4
[M]-	254.00191858	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.