CID 16778851

33098-12-3

Structural Information

Molecular Formula

C₁₀H₄Cl₄N₂O

SMILES

C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)Cl)Cl)Cl)Cl

InChI

InChI=1S/C10H4Cl4N2O/c11-6-2-1-5(3-7(6)12)16-10(17)9(14)8(13)4-15-16/h1-4H

InChIKey

IBSVTXVNXHJDSO-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-(3,4-dichlorophenyl)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.90778 Da
Monoisotopic Mass: 4.0
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]+	308.91506	155.8
[M+Na]+	330.89700	168.5
[M-H]-	306.90050	156.9
[M+NH4]+	325.94160	169.4
[M+K]+	346.87094	162.1
[M+H-H2O]+	290.90504	149.5
[M+HCOO]-	352.90598	157.7
[M+CH3COO]-	366.92163	166.5
[M+Na-2H]-	328.88245	158.3
[M]+	307.90723	159.0
[M]-	307.90833	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe