CID 14053794

114897-94-8

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)
InChIKey
NXHSNOLSHHNGHD-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

304.01703 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 163.5
[M+Na]+ 327.00625 175.6
[M-H]- 303.00975 166.7
[M+NH4]+ 322.05085 177.7
[M+K]+ 342.98019 166.9
[M+H-H2O]+ 287.01429 155.6
[M+HCOO]- 349.01523 173.6
[M+CH3COO]- 363.03088 174.7
[M+Na-2H]- 324.99170 169.5
[M]+ 304.01648 166.4
[M]- 304.01758 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.