CID 204610

16676-79-2

Structural Information

Molecular Formula
C9H7N3O3
SMILES
CC1=NNC(=O)C2=C1C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O3/c1-5-6-3-2-4-7(12(14)15)8(6)9(13)11-10-5/h2-4H,1H3,(H,11,13)
InChIKey
HDAONGFMJJTPQU-UHFFFAOYSA-N
Compound name
4-methyl-8-nitro-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 138.0
[M+Na]+ 228.03796 147.8
[M-H]- 204.04146 139.6
[M+NH4]+ 223.08256 154.2
[M+K]+ 244.01190 140.1
[M+H-H2O]+ 188.04600 135.5
[M+HCOO]- 250.04694 159.8
[M+CH3COO]- 264.06259 177.4
[M+Na-2H]- 226.02341 148.5
[M]+ 205.04819 136.5
[M]- 205.04929 136.5
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

No patent data available for this compound.