CID 15959099

6,7-dichloro-4-[(2,4-dichlorophenyl)methyl]-2h-phthalazin-1-one

Structural Information

Molecular Formula
C15H8Cl4N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)CC2=NNC(=O)C3=CC(=C(C=C32)Cl)Cl
InChI
InChI=1S/C15H8Cl4N2O/c16-8-2-1-7(11(17)4-8)3-14-9-5-12(18)13(19)6-10(9)15(22)21-20-14/h1-2,4-6H,3H2,(H,21,22)
InChIKey
ZVMMUSWAVWXYQV-UHFFFAOYSA-N
Compound name
6,7-dichloro-4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.9391 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94638 173.7
[M+Na]+ 394.92832 186.2
[M-H]- 370.93182 174.2
[M+NH4]+ 389.97292 185.3
[M+K]+ 410.90226 178.0
[M+H-H2O]+ 354.93636 166.8
[M+HCOO]- 416.93730 172.6
[M+CH3COO]- 430.95295 182.7
[M+Na-2H]- 392.91377 175.6
[M]+ 371.93855 176.7
[M]- 371.93965 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.