CID 120462

933-76-6

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

CN1C(=O)C(=C(C=N1)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3

InChIKey

ACKBTCUMGAHRIE-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 303
Patents: 177.97006 Da
Monoisotopic Mass: 1.1
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]+	178.97734	126.4
[M+Na]+	200.95928	139.4
[M-H]-	176.96278	127.5
[M+NH4]+	196.00388	145.8
[M+K]+	216.93322	135.0
[M+H-H2O]+	160.96732	121.3
[M+HCOO]-	222.96826	140.1
[M+CH3COO]-	236.98391	178.0
[M+Na-2H]-	198.94473	133.4
[M]+	177.96951	130.2
[M]-	177.97061	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe