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]+ 232.07167 146.0
[M+Na]+ 254.05361 153.7
[M-H]- 230.05711 147.7
[M+NH4]+ 249.09821 163.4
[M+K]+ 270.02755 145.5
[M+H-H2O]+ 214.06165 143.4
[M+HCOO]- 276.06259 164.7
[M+CH3COO]- 290.07824 181.8
[M+Na-2H]- 252.03906 154.1
[M]+ 231.06384 141.7
[M]- 231.06494 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.