CID 296032

1-(8-hydroxy-7-iodo-5-quinolinyl)ethanone

Structural Information

Molecular Formula
C11H8INO2
SMILES
CC(=O)C1=CC(=C(C2=C1C=CC=N2)O)I
InChI
InChI=1S/C11H8INO2/c1-6(14)8-5-9(12)11(15)10-7(8)3-2-4-13-10/h2-5,15H,1H3
InChIKey
XHWRWDBCSAYROQ-UHFFFAOYSA-N
Compound name
1-(8-hydroxy-7-iodoquinolin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.96 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.96728 147.1
[M+Na]+ 335.94922 149.8
[M-H]- 311.95272 142.6
[M+NH4]+ 330.99382 160.6
[M+K]+ 351.92316 152.3
[M+H-H2O]+ 295.95726 137.2
[M+HCOO]- 357.95820 162.5
[M+CH3COO]- 371.97385 193.5
[M+Na-2H]- 333.93467 141.7
[M]+ 312.95945 145.3
[M]- 312.96055 145.3
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.