CID 71742507

1416440-40-8

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

C1=CC(=O)NC2=C(C=CC(=C21)Br)O

InChI

InChI=1S/C9H6BrNO2/c10-6-2-3-7(12)9-5(6)1-4-8(13)11-9/h1-4,12H,(H,11,13)

InChIKey

KEMIVCPFBJJSIL-UHFFFAOYSA-N

Compound name

5-bromo-8-hydroxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.95819 Da
Monoisotopic Mass: 1.7
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]+	239.965466	139.1
[M+Na]+	261.947408	152.6
[M-H]-	237.950914	143.3
[M+NH4]+	256.992013	159.3
[M+K]+	277.921348	140.1
[M+H-H2O]+	221.955450	139.5
[M+HCOO]-	283.956391	157.4
[M+CH3COO]-	297.972041	183.6
[M+Na-2H]-	259.932856	148.3
[M]+	238.95764142	156.6
[M]-	238.95873858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe