CID 15959100

4-benzyl-6,7-dichloro-2-methyl-phthalazin-1-one

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
CN1C(=O)C2=CC(=C(C=C2C(=N1)CC3=CC=CC=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O/c1-20-16(21)12-9-14(18)13(17)8-11(12)15(19-20)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKey
DCAVCTOEXYENQR-UHFFFAOYSA-N
Compound name
4-benzyl-6,7-dichloro-2-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.03265 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03993 168.5
[M+Na]+ 341.02187 181.4
[M-H]- 317.02537 173.1
[M+NH4]+ 336.06647 183.1
[M+K]+ 356.99581 173.4
[M+H-H2O]+ 301.02991 160.0
[M+HCOO]- 363.03085 179.6
[M+CH3COO]- 377.04650 180.2
[M+Na-2H]- 339.00732 173.4
[M]+ 318.03210 173.8
[M]- 318.03320 173.8
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.