CID 779402

33098-11-2

Structural Information

Molecular Formula

C₁₀H₅Cl₃N₂O

SMILES

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

InChI

InChI=1S/C10H5Cl3N2O/c11-6-1-3-7(4-2-6)15-10(16)9(13)8(12)5-14-15/h1-5H

InChIKey

NSDMHMDFFLRTAE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 19
Patents: 273.94675 Da
Monoisotopic Mass: 3.3
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]+	274.95403	149.6
[M+Na]+	296.93597	162.5
[M-H]-	272.93947	152.4
[M+NH4]+	291.98057	164.9
[M+K]+	312.90991	155.8
[M+H-H2O]+	256.94401	142.9
[M+HCOO]-	318.94495	157.4
[M+CH3COO]-	332.96060	161.8
[M+Na-2H]-	294.92142	154.4
[M]+	273.94620	153.5
[M]-	273.94730	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe