CID 3080543

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

Structural Information

Molecular Formula
C17H10Cl3IN2O2
SMILES
C1=CC(=CC=C1COC2=C(C(=O)N(N=C2)C3=CC(=C(C=C3)Cl)Cl)I)Cl
InChI
InChI=1S/C17H10Cl3IN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)21)12-5-6-13(19)14(20)7-12/h1-8H,9H2
InChIKey
NENSGHXYOXEOOZ-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.88525 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.89253 182.0
[M+Na]+ 528.87447 187.3
[M-H]- 504.87797 180.4
[M+NH4]+ 523.91907 187.9
[M+K]+ 544.84841 185.4
[M+H-H2O]+ 488.88251 169.4
[M+HCOO]- 550.88345 184.7
[M+CH3COO]- 564.89910 188.2
[M+Na-2H]- 526.85992 173.7
[M]+ 505.88470 185.6
[M]- 505.88580 185.6
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

No patent data available for this compound.