CID 11324034

7-bromo-4-hydroxy-2-phenylquinoline

Structural Information

Molecular Formula

C₁₅H₁₀BrNO

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)Br

InChI

InChI=1S/C15H10BrNO/c16-11-6-7-12-14(8-11)17-13(9-15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)

InChIKey

XRLIQZUPQOFEHG-UHFFFAOYSA-N

Compound name

7-bromo-2-phenyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 298.99457 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.001846	158.3
[M+Na]+	321.983788	170.8
[M-H]-	297.987294	166.2
[M+NH4]+	317.028393	176.4
[M+K]+	337.957728	157.5
[M+H-H2O]+	281.991830	157.3
[M+HCOO]-	343.992771	177.3
[M+CH3COO]-	358.008421	172.3
[M+Na-2H]-	319.969236	167.0
[M]+	298.99402142	175.7
[M]-	298.99511858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe