CID 501297

5-hydroxy-1h-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C11H6N2O3
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)NN=C3
InChI
InChI=1S/C11H6N2O3/c14-7-3-1-2-5-8(7)10(15)6-4-12-13-9(6)11(5)16/h1-4,14H,(H,12,13)
InChIKey
GBAGGTGPRRTNMI-UHFFFAOYSA-N
Compound name
5-hydroxy-1H-benzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.03784 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04512 142.7
[M+Na]+ 237.02706 154.2
[M-H]- 213.03056 144.0
[M+NH4]+ 232.07166 161.7
[M+K]+ 253.00100 149.0
[M+H-H2O]+ 197.03510 136.5
[M+HCOO]- 259.03604 161.0
[M+CH3COO]- 273.05169 155.6
[M+Na-2H]- 235.01251 148.8
[M]+ 214.03729 142.2
[M]- 214.03839 142.2
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.