CID 15959081

Chembl378274

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C(=C1)CC2=NNC(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
InChIKey
NXXMGRASOYMKFM-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

270.056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.2
[M+Na]+ 293.04522 169.2
[M-H]- 269.04872 161.9
[M+NH4]+ 288.08982 173.1
[M+K]+ 309.01916 161.3
[M+H-H2O]+ 253.05326 149.7
[M+HCOO]- 315.05420 173.4
[M+CH3COO]- 329.06985 169.9
[M+Na-2H]- 291.03067 165.8
[M]+ 270.05545 159.5
[M]- 270.05655 159.5
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.