CID 3065233

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

Structural Information

Molecular Formula
C17H10Cl3FN2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=C(C=C(C=C3)Cl)F)Cl)Cl
InChI
InChI=1S/C17H10Cl3FN2O2/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
YEBPUNKLUUFSDY-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

397.9792 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.986476 181.1
[M+Na]+ 420.968418 193.8
[M-H]- 396.971924 185.5
[M+NH4]+ 416.013023 191.3
[M+K]+ 436.942358 185.7
[M+H-H2O]+ 380.976460 170.9
[M+HCOO]- 442.977401 186.9
[M+CH3COO]- 456.993051 191.0
[M+Na-2H]- 418.953866 182.6
[M]+ 397.97865142 186.6
[M]- 397.97974858 186.6
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