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]+ 206.056016 138.0
[M+Na]+ 228.037958 147.8
[M-H]- 204.041464 139.6
[M+NH4]+ 223.082563 154.2
[M+K]+ 244.011898 140.1
[M+H-H2O]+ 188.046000 135.5
[M+HCOO]- 250.046941 159.8
[M+CH3COO]- 264.062591 177.4
[M+Na-2H]- 226.023406 148.5
[M]+ 205.04819142 136.5
[M]- 205.04928858 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.