CID 3078730

3(2h)-pyridazinone, 5-((6-chloro-3-pyridinyl)methoxy)-2-(3,4-dichlorophenyl)-4-iodo-

Structural Information

Molecular Formula
C16H9Cl3IN3O2
SMILES
C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)OCC3=CN=C(C=C3)Cl)I)Cl)Cl
InChI
InChI=1S/C16H9Cl3IN3O2/c17-11-3-2-10(5-12(11)18)23-16(24)15(20)13(7-22-23)25-8-9-1-4-14(19)21-6-9/h1-7H,8H2
InChIKey
LYMZTNSDZXMCIS-UHFFFAOYSA-N
Compound name
5-[(6-chloropyridin-3-yl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.88052 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.88780 179.4
[M+Na]+ 529.86974 184.9
[M-H]- 505.87324 176.6
[M+NH4]+ 524.91434 183.9
[M+K]+ 545.84368 183.1
[M+H-H2O]+ 489.87778 165.9
[M+HCOO]- 551.87872 181.1
[M+CH3COO]- 565.89437 185.3
[M+Na-2H]- 527.85519 171.8
[M]+ 506.87997 182.9
[M]- 506.88107 182.9
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.