CID 146049784

2380053-98-3

Structural Information

Molecular Formula

C₉H₄BrFN₂O₃

SMILES

C1=C(C=C(C2=C1C(=O)C(=CN2)[N+](=O)[O-])F)Br

InChI

InChI=1S/C9H4BrFN2O3/c10-4-1-5-8(6(11)2-4)12-3-7(9(5)14)13(15)16/h1-3H,(H,12,14)

InChIKey

VZCXZFIUAARHMP-UHFFFAOYSA-N

Compound name

6-bromo-8-fluoro-3-nitro-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 285.93893 Da
Monoisotopic Mass: 2.4
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]+	286.94621	150.9
[M+Na]+	308.92815	155.4
[M+NH4]+	303.97275	154.5
[M+K]+	324.90209	157.7
[M-H]-	284.93165	150.8
[M+Na-2H]-	306.91360	153.0
[M]+	285.93838	150.1
[M]-	285.93948	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe