CID 3080542

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

Structural Information

Molecular Formula
C17H11Cl2IN2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)Cl)I)Cl
InChI
InChI=1S/C17H11Cl2IN2O2/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
BRJAOLBBRKCDEA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.92422 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.93150 190.1
[M+Na]+ 494.91344 201.5
[M+NH4]+ 489.95804 194.0
[M+K]+ 510.88738 194.6
[M-H]- 470.91694 189.7
[M+Na-2H]- 492.89889 188.6
[M]+ 471.92367 191.5
[M]- 471.92477 191.5
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.