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

literature stripe

Patent stripe

patents stripe