CID 15959097

Chembl373614

Structural Information

Molecular Formula
C15H9Cl3N2O
SMILES
C1=CC=C(C(=C1)CC2=NNC(=O)C3=CC(=C(C=C32)Cl)Cl)Cl
InChI
InChI=1S/C15H9Cl3N2O/c16-11-4-2-1-3-8(11)5-14-9-6-12(17)13(18)7-10(9)15(21)20-19-14/h1-4,6-7H,5H2,(H,20,21)
InChIKey
FLOWDAQGLCSFJV-UHFFFAOYSA-N
Compound name
6,7-dichloro-4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.97806 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98534 168.5
[M+Na]+ 360.96728 181.1
[M-H]- 336.97078 170.6
[M+NH4]+ 356.01188 181.6
[M+K]+ 376.94122 172.3
[M+H-H2O]+ 320.97532 161.1
[M+HCOO]- 382.97626 173.0
[M+CH3COO]- 396.99191 178.8
[M+Na-2H]- 358.95273 172.6
[M]+ 337.97751 172.0
[M]- 337.97861 172.0
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.