CID 605878

39499-62-2

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

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

InChI

InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)

InChIKey

CKONBUGAZNEEMK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 192.06989 Da
Monoisotopic Mass: 1.0
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]+	193.07717	141.4
[M+Na]+	215.05911	154.6
[M+NH4]+	210.10371	148.9
[M+K]+	231.03305	147.8
[M-H]-	191.06261	142.8
[M+Na-2H]-	213.04456	148.9
[M]+	192.06934	143.5
[M]-	192.07044	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe