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 179.9
[M+Na]+ 494.91344 184.4
[M-H]- 470.91694 179.1
[M+NH4]+ 489.95804 186.5
[M+K]+ 510.88738 182.8
[M+H-H2O]+ 454.92148 166.6
[M+HCOO]- 516.92242 187.6
[M+CH3COO]- 530.93807 186.6
[M+Na-2H]- 492.89889 172.6
[M]+ 471.92367 182.7
[M]- 471.92477 182.7
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.