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 178.5
[M+Na]+ 481.88360 194.1
[M-H]- 457.88710 185.5
[M+NH4]+ 476.92820 189.4
[M+K]+ 497.85754 179.5
[M+H-H2O]+ 441.89164 175.7
[M+HCOO]- 503.89258 182.9
[M+CH3COO]- 517.90823 190.4
[M+Na-2H]- 479.86905 183.1
[M]+ 458.89383 202.4
[M]- 458.89493 202.4
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.