CID 501285

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

Structural Information

Molecular Formula
C12H8N2O3
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C12H8N2O3/c1-14-10-7(5-13-14)11(16)9-6(12(10)17)3-2-4-8(9)15/h2-5,15H,1H3
InChIKey
MKBWGPCYKVZMHD-UHFFFAOYSA-N
Compound name
5-hydroxy-1-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 147.1
[M+Na]+ 251.04272 159.4
[M-H]- 227.04622 149.9
[M+NH4]+ 246.08732 166.4
[M+K]+ 267.01666 154.9
[M+H-H2O]+ 211.05076 140.6
[M+HCOO]- 273.05170 166.4
[M+CH3COO]- 287.06735 160.5
[M+Na-2H]- 249.02817 152.2
[M]+ 228.05295 149.0
[M]- 228.05405 149.0
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.