CID 72813

1698-53-9

Structural Information

Molecular Formula

C₁₀H₆Cl₂N₂O

SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl

InChI

InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H

InChIKey

VKWCOHVAHQOJGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 168
Patents: 239.98572 Da
Monoisotopic Mass: 2.1
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]+	240.99300	144.1
[M+Na]+	262.97494	156.5
[M-H]-	238.97844	148.0
[M+NH4]+	258.01954	160.5
[M+K]+	278.94888	150.2
[M+H-H2O]+	222.98298	136.9
[M+HCOO]-	284.98392	157.5
[M+CH3COO]-	298.99957	157.3
[M+Na-2H]-	260.96039	150.9
[M]+	239.98517	147.6
[M]-	239.98627	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe