CID 90029

23204-41-3

Structural Information

Molecular Formula
C12H7NO3
SMILES
C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)O
InChI
InChI=1S/C12H7NO3/c14-7-4-6-2-1-3-8-10(6)9(5-7)12(16)13-11(8)15/h1-5,14H,(H,13,15,16)
InChIKey
BJDNLARFUVNOND-UHFFFAOYSA-N
Compound name
5-hydroxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

213.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.049866 142.4
[M+Na]+ 236.031808 152.4
[M-H]- 212.035314 143.8
[M+NH4]+ 231.076413 161.1
[M+K]+ 252.005748 147.5
[M+H-H2O]+ 196.039850 136.1
[M+HCOO]- 258.040791 159.4
[M+CH3COO]- 272.056441 154.8
[M+Na-2H]- 234.017256 150.2
[M]+ 213.04204142 141.3
[M]- 213.04313858 141.3
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

patents stripe