CID 241492

8-hydroxy-5-quinolyl phenyl ketone

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C16H11NO2/c18-14-9-8-13(12-7-4-10-17-15(12)14)16(19)11-5-2-1-3-6-11/h1-10,18H
InChIKey
JVHWRVMKLLDQHF-UHFFFAOYSA-N
Compound name
(8-hydroxyquinolin-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.07898 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 154.5
[M+Na]+ 272.06820 162.9
[M-H]- 248.07170 159.7
[M+NH4]+ 267.11280 170.3
[M+K]+ 288.04214 157.8
[M+H-H2O]+ 232.07624 146.2
[M+HCOO]- 294.07718 174.7
[M+CH3COO]- 308.09283 166.5
[M+Na-2H]- 270.05365 161.7
[M]+ 249.07843 153.9
[M]- 249.07953 153.9
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