CID 243015

2-bromo-4-nitropyridine

Structural Information

Molecular Formula

C₅H₃BrN₂O₂

SMILES

C1=CN=C(C=C1[N+](=O)[O-])Br

InChI

InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H

InChIKey

AFVITJKRFRRQKT-UHFFFAOYSA-N

Compound name

2-bromo-4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 201.93779 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]+	202.94507	133.0
[M+Na]+	224.92701	137.5
[M+NH4]+	219.97161	137.9
[M+K]+	240.90095	140.0
[M-H]-	200.93051	134.4
[M+Na-2H]-	222.91246	137.2
[M]+	201.93724	132.7
[M]-	201.93834	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe