CID 204611

Brn 1590941

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]+ 282.08733 159.7
[M+Na]+ 304.06927 177.4
[M+NH4]+ 299.11387 167.7
[M+K]+ 320.04321 172.1
[M-H]- 280.07277 165.3
[M+Na-2H]- 302.05472 169.0
[M]+ 281.07950 163.8
[M]- 281.08060 163.8
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.