CID 21984407

7-bromo-3-nitroquinolin-4-ol

Structural Information

Molecular Formula

C₉H₅BrN₂O₃

SMILES

C1=CC2=C(C=C1Br)NC=C(C2=O)[N+](=O)[O-]

InChI

InChI=1S/C9H5BrN2O3/c10-5-1-2-6-7(3-5)11-4-8(9(6)13)12(14)15/h1-4H,(H,11,13)

InChIKey

QJMLADCOCGDUQT-UHFFFAOYSA-N

Compound name

7-bromo-3-nitro-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 267.94836 Da
Monoisotopic Mass: 2.3
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]+	268.95564	147.0
[M+Na]+	290.93758	152.1
[M+NH4]+	285.98218	151.4
[M+K]+	306.91152	154.3
[M-H]-	266.94108	148.3
[M+Na-2H]-	288.92303	150.1
[M]+	267.94781	146.8
[M]-	267.94891	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe