CID 3078727

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

Structural Information

Molecular Formula
C16H9BrCl3N3O2
SMILES
C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)OCC3=CN=C(C=C3)Br)Cl)Cl)Cl
InChI
InChI=1S/C16H9BrCl3N3O2/c17-14-4-1-9(6-21-14)8-25-13-7-22-23(16(24)15(13)20)10-2-3-11(18)12(19)5-10/h1-7H,8H2
InChIKey
JAKQAIIXSSLGMZ-UHFFFAOYSA-N
Compound name
5-[(6-bromopyridin-3-yl)methoxy]-4-chloro-2-(3,4-dichlorophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.89438 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.90166 191.7
[M+Na]+ 481.88360 201.7
[M+NH4]+ 476.92820 195.7
[M+K]+ 497.85754 197.4
[M-H]- 457.88710 194.5
[M+Na-2H]- 479.86905 197.9
[M]+ 458.89383 193.9
[M]- 458.89493 193.9
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.