CID 3078729

3(2h)-pyridazinone, 2-(4-chlorophenyl)-5-((6-chloro-3-pyridinyl)methoxy)-4-iodo-

Structural Information

Molecular Formula
C16H10Cl2IN3O2
SMILES
C1=CC(=CC=C1N2C(=O)C(=C(C=N2)OCC3=CN=C(C=C3)Cl)I)Cl
InChI
InChI=1S/C16H10Cl2IN3O2/c17-11-2-4-12(5-3-11)22-16(23)15(19)13(8-21-22)24-9-10-1-6-14(18)20-7-10/h1-8H,9H2
InChIKey
ZZFOENAIFUEYJP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-[(6-chloropyridin-3-yl)methoxy]-4-iodopyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

472.9195 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.92678 189.0
[M+Na]+ 495.90872 200.3
[M+NH4]+ 490.95332 192.3
[M+K]+ 511.88266 193.9
[M-H]- 471.91222 187.9
[M+Na-2H]- 493.89417 187.3
[M]+ 472.91895 190.0
[M]- 472.92005 190.0
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