CID 3052577

69024-94-8

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O₃

SMILES

CC(CN1C(=O)C=CC(=N1)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C13H13ClN2O3/c1-9(17)8-16-13(18)7-6-12(15-16)19-11-4-2-10(14)3-5-11/h2-7,9,17H,8H2,1H3

InChIKey

VZKLKIJFGVOYLR-UHFFFAOYSA-N

Compound name

6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.06146 Da
Monoisotopic Mass: 1.8
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]+	281.068736	158.2
[M+Na]+	303.050678	168.0
[M-H]-	279.054184	161.4
[M+NH4]+	298.095283	171.7
[M+K]+	319.024618	163.1
[M+H-H2O]+	263.058720	150.1
[M+HCOO]-	325.059661	173.9
[M+CH3COO]-	339.075311	195.3
[M+Na-2H]-	301.036126	162.7
[M]+	280.06091142	162.3
[M]-	280.06200858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe