CID 3087506

8-nitro-4,4a-dihydro-5h-indeno(1,2-c)pyridazin-3-one

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1C2CC(=O)NN=C2C3=C1C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c15-10-4-7-3-6-1-2-8(14(16)17)5-9(6)11(7)13-12-10/h1-2,5,7H,3-4H2,(H,12,15)
InChIKey
MPAKCSZPRBZIBF-UHFFFAOYSA-N
Compound name
8-nitro-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 146.0
[M+Na]+ 254.053608 153.7
[M-H]- 230.057114 147.7
[M+NH4]+ 249.098213 163.4
[M+K]+ 270.027548 145.5
[M+H-H2O]+ 214.061650 143.4
[M+HCOO]- 276.062591 164.7
[M+CH3COO]- 290.078241 181.8
[M+Na-2H]- 252.039056 154.1
[M]+ 231.06384142 141.7
[M]- 231.06493858 141.7
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.