CID 3065234

3(2h)-pyridazinone, 5-((4-bromophenyl)methoxy)-4-chloro-2-(4-chloro-2-fluorophenyl)-

Structural Information

Molecular Formula
C17H10BrCl2FN2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=C(C=C(C=C3)Cl)F)Cl)Br
InChI
InChI=1S/C17H10BrCl2FN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)20)14-6-5-12(19)7-13(14)21/h1-8H,9H2
InChIKey
IMJNNBITQBYMJH-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methoxy]-4-chloro-2-(4-chloro-2-fluorophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.92868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.93596 182.1
[M+Na]+ 464.91790 197.7
[M-H]- 440.92140 190.4
[M+NH4]+ 459.96250 194.7
[M+K]+ 480.89184 182.5
[M+H-H2O]+ 424.92594 178.9
[M+HCOO]- 486.92688 191.7
[M+CH3COO]- 500.94253 194.7
[M+Na-2H]- 462.90335 186.1
[M]+ 441.92813 205.5
[M]- 441.92923 205.5
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.