CID 21406333

62902-73-2

Structural Information

Molecular Formula

C₁₀H₆ClFN₂O

SMILES

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

InChI

InChI=1S/C10H6ClFN2O/c11-7-5-6(1-2-8(7)12)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)

InChIKey

KRLDXKPZBLMJRE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.01527 Da
Monoisotopic Mass: 2.0
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]+	225.02255	141.6
[M+Na]+	247.00449	153.4
[M-H]-	223.00799	143.6
[M+NH4]+	242.04909	157.6
[M+K]+	262.97843	146.8
[M+H-H2O]+	207.01253	133.4
[M+HCOO]-	269.01347	157.7
[M+CH3COO]-	283.02912	154.4
[M+Na-2H]-	244.98994	148.2
[M]+	224.01472	141.2
[M]-	224.01582	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe