CID 71952987

1194459-28-3

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

C1CC(=O)NC2=CC(=C(C=C21)Br)O

InChI

InChI=1S/C9H8BrNO2/c10-6-3-5-1-2-9(13)11-7(5)4-8(6)12/h3-4,12H,1-2H2,(H,11,13)

InChIKey

WYOOKLVWUVBNQJ-UHFFFAOYSA-N

Compound name

6-bromo-7-hydroxy-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 240.97385 Da
Monoisotopic Mass: 1.4
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]+	241.98113	142.8
[M+Na]+	263.96307	146.1
[M+NH4]+	259.00767	147.4
[M+K]+	279.93701	146.3
[M-H]-	239.96657	142.5
[M+Na-2H]-	261.94852	144.7
[M]+	240.97330	141.8
[M]-	240.97440	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe