CID 120990

1079-73-8

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)

InChIKey

AZDWIMWFLAIPIR-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 43
Patents: 208.04034 Da
Monoisotopic Mass: 1.6
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]+	209.04762	142.6
[M+Na]+	231.02956	157.7
[M+NH4]+	226.07416	151.2
[M+K]+	247.00350	150.0
[M-H]-	207.03306	145.6
[M+Na-2H]-	229.01501	151.1
[M]+	208.03979	145.8
[M]-	208.04089	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe