CID 204611

1(2h)-phthalazinone, 4-methyl-8-nitro-2-phenyl-

Structural Information

Molecular Formula
C15H11N3O3
SMILES
CC1=NN(C(=O)C2=C1C=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C15H11N3O3/c1-10-12-8-5-9-13(18(20)21)14(12)15(19)17(16-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKey
XITAULUTEIYVIA-UHFFFAOYSA-N
Compound name
4-methyl-8-nitro-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.087326 161.1
[M+Na]+ 304.069268 170.4
[M-H]- 280.072774 166.9
[M+NH4]+ 299.113873 174.4
[M+K]+ 320.043208 161.5
[M+H-H2O]+ 264.077310 156.0
[M+HCOO]- 326.078251 183.4
[M+CH3COO]- 340.093901 195.5
[M+Na-2H]- 302.054716 170.4
[M]+ 281.07950142 161.0
[M]- 281.08059858 161.0
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.