CID 3065230

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

Structural Information

Molecular Formula
C17H11Cl3N2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O2/c18-12-3-1-11(2-4-12)10-24-15-9-21-22(17(23)16(15)20)14-7-5-13(19)6-8-14/h1-9H,10H2
InChIKey
LXFYHXTXYGAIOJ-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

379.98862 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.99590 179.2
[M+Na]+ 402.97784 191.0
[M-H]- 378.98134 184.6
[M+NH4]+ 398.02244 189.9
[M+K]+ 418.95178 183.3
[M+H-H2O]+ 362.98588 169.7
[M+HCOO]- 424.98682 186.0
[M+CH3COO]- 439.00247 189.3
[M+Na-2H]- 400.96329 181.9
[M]+ 379.98807 185.2
[M]- 379.98917 185.2
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

patents stripe