CID 3052575

69024-92-6

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₃

SMILES

C1=CC(=CC=C1OC2=NN(C(=O)C=C2)CCO)Cl

InChI

InChI=1S/C12H11ClN2O3/c13-9-1-3-10(4-2-9)18-11-5-6-12(17)15(14-11)7-8-16/h1-6,16H,7-8H2

InChIKey

YGIULSBBNNVTEJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 266.0458 Da
Monoisotopic Mass: 1.4
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]+	267.053076	154.1
[M+Na]+	289.035018	164.6
[M-H]-	265.038524	157.3
[M+NH4]+	284.079623	168.2
[M+K]+	305.008958	159.4
[M+H-H2O]+	249.043060	146.0
[M+HCOO]-	311.044001	171.0
[M+CH3COO]-	325.059651	191.5
[M+Na-2H]-	287.020466	160.2
[M]+	266.04525142	158.3
[M]-	266.04634858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe