CID 4564862

58897-67-9

Structural Information

Molecular Formula

C₁₀H₇FN₂O

SMILES

C1=CC(=CC=C1C2=NNC(=O)C=C2)F

InChI

InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)

InChIKey

SWHTYHMWPIYECQ-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 37
Patents: 190.05424 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]+	191.06152	138.4
[M+Na]+	213.04346	153.4
[M+NH4]+	208.08806	146.0
[M+K]+	229.01740	146.3
[M-H]-	189.04696	140.2
[M+Na-2H]-	211.02891	147.8
[M]+	190.05369	141.0
[M]-	190.05479	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe