CID 7131915

4,5-dichloro-2-[2-(4-chlorophenoxy)ethyl]-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C12H9Cl3N2O2
SMILES
C1=CC(=CC=C1OCCN2C(=O)C(=C(C=N2)Cl)Cl)Cl
InChI
InChI=1S/C12H9Cl3N2O2/c13-8-1-3-9(4-2-8)19-6-5-17-12(18)11(15)10(14)7-16-17/h1-4,7H,5-6H2
InChIKey
CJRGJMNLFFPNSG-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-[2-(4-chlorophenoxy)ethyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.97296 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.98024 164.4
[M+Na]+ 340.96218 181.9
[M+NH4]+ 336.00678 172.3
[M+K]+ 356.93612 172.7
[M-H]- 316.96568 167.2
[M+Na-2H]- 338.94763 173.1
[M]+ 317.97241 168.7
[M]- 317.97351 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.