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

5
Patents

397.9792 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98648 181.1
[M+Na]+ 420.96842 193.8
[M-H]- 396.97192 185.5
[M+NH4]+ 416.01302 191.3
[M+K]+ 436.94236 185.7
[M+H-H2O]+ 380.97646 170.9
[M+HCOO]- 442.97740 186.9
[M+CH3COO]- 456.99305 191.0
[M+Na-2H]- 418.95387 182.6
[M]+ 397.97865 186.6
[M]- 397.97975 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