CID 3009682

135735-58-9

Structural Information

Molecular Formula
C13H7NO4
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=CNC(=O)C=C3C2=O
InChI
InChI=1S/C13H7NO4/c15-9-3-1-2-6-11(9)13(18)8-5-14-10(16)4-7(8)12(6)17/h1-5,15H,(H,14,16)
InChIKey
HJLQHBGEPCABIZ-UHFFFAOYSA-N
Compound name
9-hydroxy-2H-benzo[g]isoquinoline-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04478 147.0
[M+Na]+ 264.02672 158.7
[M-H]- 240.03022 149.7
[M+NH4]+ 259.07132 164.4
[M+K]+ 280.00066 153.3
[M+H-H2O]+ 224.03476 140.5
[M+HCOO]- 286.03570 165.3
[M+CH3COO]- 300.05135 189.0
[M+Na-2H]- 262.01217 154.3
[M]+ 241.03695 147.0
[M]- 241.03805 147.0
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.