CID 104452

53242-88-9

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19)
InChIKey
NLXGCQIEVZYDRS-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

45
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 158.8
[M+Na]+ 293.04522 177.2
[M+NH4]+ 288.08982 168.0
[M+K]+ 309.01916 167.3
[M-H]- 269.04872 163.4
[M+Na-2H]- 291.03067 169.0
[M]+ 270.05545 163.2
[M]- 270.05655 163.2
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

patents stripe