CID 16778802

937630-10-9

Structural Information

Molecular Formula

C₁₁H₇Cl₃N₂O

SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl)Cl

InChI

InChI=1S/C11H7Cl3N2O/c1-6-2-3-7(4-8(6)12)16-11(17)10(14)9(13)5-15-16/h2-5H,1H3

InChIKey

KWPFAIJIWYLDLQ-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-(3-chloro-4-methylphenyl)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 287.9624 Da
Monoisotopic Mass: 3.7
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	154.0
[M+Na]+	310.95162	167.3
[M-H]-	286.95512	157.0
[M+NH4]+	305.99622	169.0
[M+K]+	326.92556	160.5
[M+H-H2O]+	270.95966	147.4
[M+HCOO]-	332.96060	161.4
[M+CH3COO]-	346.97625	166.1
[M+Na-2H]-	308.93707	157.6
[M]+	287.96185	158.6
[M]-	287.96295	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe