CID 15959095

4-[(3,4-dichlorophenyl)methyl]-6-methyl-2h-phthalazin-1-one

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
CC1=CC2=C(C=C1)C(=O)NN=C2CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O/c1-9-2-4-11-12(6-9)15(19-20-16(11)21)8-10-3-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,20,21)
InChIKey
QTGLCNZVICKHLO-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methyl]-6-methyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.03265 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03993 168.4
[M+Na]+ 341.02187 180.9
[M-H]- 317.02537 171.8
[M+NH4]+ 336.06647 182.4
[M+K]+ 356.99581 172.1
[M+H-H2O]+ 301.02991 160.5
[M+HCOO]- 363.03085 178.1
[M+CH3COO]- 377.04650 179.5
[M+Na-2H]- 339.00732 173.1
[M]+ 318.03210 172.1
[M]- 318.03320 172.1
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.