CID 53256682

1251393-78-8

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

C1COCCC1OC2=NN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2O2/c10-8-1-2-9(12-11-8)14-7-3-5-13-6-4-7/h1-2,7H,3-6H2

InChIKey

HDDUNLLTIWGKIY-UHFFFAOYSA-N

Compound name

3-chloro-6-(oxan-4-yloxy)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.0509 Da
Monoisotopic Mass: 1.5
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]+	215.058176	143.2
[M+Na]+	237.040118	150.4
[M-H]-	213.043624	146.9
[M+NH4]+	232.084723	158.1
[M+K]+	253.014058	148.4
[M+H-H2O]+	197.048160	134.9
[M+HCOO]-	259.049101	157.0
[M+CH3COO]-	273.064751	155.1
[M+Na-2H]-	235.025566	150.3
[M]+	214.05035142	142.9
[M]-	214.05144858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.