CID 12940622

4-[(6-chloropyridazin-3-yl)oxy]phenol

Structural Information

Molecular Formula

C₁₀H₇ClN₂O₂

SMILES

C1=CC(=CC=C1O)OC2=NN=C(C=C2)Cl

InChI

InChI=1S/C10H7ClN2O2/c11-9-5-6-10(13-12-9)15-8-3-1-7(14)2-4-8/h1-6,14H

InChIKey

FDMRSUOUJZHRAN-UHFFFAOYSA-N

Compound name

4-(6-chloropyridazin-3-yl)oxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.0196 Da
Monoisotopic Mass: 2.3
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]+	223.026876	142.6
[M+Na]+	245.008818	153.0
[M-H]-	221.012324	145.7
[M+NH4]+	240.053423	158.4
[M+K]+	260.982758	148.1
[M+H-H2O]+	205.016860	134.9
[M+HCOO]-	267.017801	159.9
[M+CH3COO]-	281.033451	155.5
[M+Na-2H]-	242.994266	150.6
[M]+	222.01905142	145.0
[M]-	222.02014858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe