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 189.5
[M+Na]+ 464.91790 198.3
[M+NH4]+ 459.96250 193.5
[M+K]+ 480.89184 194.4
[M-H]- 440.92140 192.0
[M+Na-2H]- 462.90335 195.6
[M]+ 441.92813 191.1
[M]- 441.92923 191.1
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.