CID 3065232

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

Structural Information

Molecular Formula
C17H11BrCl2N2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)Br)Cl)Cl
InChI
InChI=1S/C17H11BrCl2N2O2/c18-12-3-7-14(8-4-12)22-17(23)16(20)15(9-21-22)24-10-11-1-5-13(19)6-2-11/h1-9H,10H2
InChIKey
JBZFFSZAWSVWBW-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-chloro-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.9381 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.94538 184.8
[M+Na]+ 446.92732 194.4
[M+NH4]+ 441.97192 189.5
[M+K]+ 462.90126 190.3
[M-H]- 422.93082 188.7
[M+Na-2H]- 444.91277 192.0
[M]+ 423.93755 187.0
[M]- 423.93865 187.0
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.