CID 54690687

Benzo(f)quinoline-1,3-diol

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)N3)O
InChI
InChI=1S/C13H9NO2/c15-11-7-12(16)14-10-6-5-8-3-1-2-4-9(8)13(10)11/h1-7H,(H2,14,15,16)
InChIKey
MIYNYVVTPYZTTA-UHFFFAOYSA-N
Compound name
1-hydroxy-4H-benzo[f]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 141.2
[M+Na]+ 234.05254 152.9
[M-H]- 210.05604 143.9
[M+NH4]+ 229.09714 159.9
[M+K]+ 250.02648 146.9
[M+H-H2O]+ 194.06058 134.6
[M+HCOO]- 256.06152 161.8
[M+CH3COO]- 270.07717 154.5
[M+Na-2H]- 232.03799 151.7
[M]+ 211.06277 141.7
[M]- 211.06387 141.7
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

No patent data available for this compound.