CID 73247

4,5-dichloro-3(2h)-pyridazinone

Structural Information

Molecular Formula

C₄H₂Cl₂N₂O

SMILES

C1=NNC(=O)C(=C1Cl)Cl

InChI

InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)

InChIKey

VJWXIRQLLGYIDI-UHFFFAOYSA-N

Compound name

4,5-dichloro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1373
Patents: 163.95442 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]+	164.96170	124.4
[M+Na]+	186.94364	139.9
[M+NH4]+	181.98824	132.8
[M+K]+	202.91758	133.1
[M-H]-	162.94714	124.9
[M+Na-2H]-	184.92909	132.0
[M]+	163.95387	127.2
[M]-	163.95497	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe