CID 720233

112749-52-7

Structural Information

Molecular Formula

C₁₁H₇Cl₃N₂O

SMILES

C1=CC=C(C(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)Cl

InChI

InChI=1S/C11H7Cl3N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2

InChIKey

OCSOJUHXYHYEKJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4
Patents: 287.9624 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]+	288.96968	154.1
[M+Na]+	310.95162	166.6
[M-H]-	286.95512	156.7
[M+NH4]+	305.99622	168.8
[M+K]+	326.92556	159.6
[M+H-H2O]+	270.95966	147.2
[M+HCOO]-	332.96060	161.6
[M+CH3COO]-	346.97625	165.9
[M+Na-2H]-	308.93707	158.4
[M]+	287.96185	158.3
[M]-	287.96295	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe