CID 14244369

4-(3,4-dichlorophenyl)-1,2-dihydrophthalazin-1-one

Structural Information

Molecular Formula
C14H8Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7H,(H,18,19)
InChIKey
GKHJJRRZTWDZJO-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.00137 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.008646 158.9
[M+Na]+ 312.990588 171.5
[M-H]- 288.994094 162.3
[M+NH4]+ 308.035193 173.8
[M+K]+ 328.964528 163.0
[M+H-H2O]+ 272.998630 151.3
[M+HCOO]- 334.999571 169.3
[M+CH3COO]- 349.015221 170.6
[M+Na-2H]- 310.976036 165.5
[M]+ 290.00082142 161.5
[M]- 290.00191858 161.5
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

patents stripe