CID 370206

Nsc642950

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2
InChI
InChI=1S/C16H11NO2/c18-14-8-4-7-11-9-10-13(17-15(11)14)16(19)12-5-2-1-3-6-12/h1-10,18H
InChIKey
VAFYGDVFWDZPGU-UHFFFAOYSA-N
Compound name
(8-hydroxyquinolin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.07898 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.