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

33
Patents

213.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04987 142.4
[M+Na]+ 236.03181 152.4
[M-H]- 212.03531 143.8
[M+NH4]+ 231.07641 161.1
[M+K]+ 252.00575 147.5
[M+H-H2O]+ 196.03985 136.1
[M+HCOO]- 258.04079 159.4
[M+CH3COO]- 272.05644 154.8
[M+Na-2H]- 234.01726 150.2
[M]+ 213.04204 141.3
[M]- 213.04314 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