CID 501282

5,8-dihydroxy-ben[f]indazole-4,9-quinone

Structural Information

Molecular Formula
C11H6N2O4
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)NN=C3)O
InChI
InChI=1S/C11H6N2O4/c14-5-1-2-6(15)8-7(5)10(16)4-3-12-13-9(4)11(8)17/h1-3,14-15H,(H,12,13)
InChIKey
OGKRHRWZGSRLSZ-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-1H-benzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.03276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04004 146.2
[M+Na]+ 253.02198 157.9
[M-H]- 229.02548 146.5
[M+NH4]+ 248.06658 164.0
[M+K]+ 268.99592 152.7
[M+H-H2O]+ 213.03002 140.5
[M+HCOO]- 275.03096 163.0
[M+CH3COO]- 289.04661 158.5
[M+Na-2H]- 251.00743 151.3
[M]+ 230.03221 145.8
[M]- 230.03331 145.8
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.