CID 71464178

2,5-dibromo-4-nitropyridine

Structural Information

Molecular Formula

C₅H₂Br₂N₂O₂

SMILES

C1=C(C(=CN=C1Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C5H2Br2N2O2/c6-3-2-8-5(7)1-4(3)9(10)11/h1-2H

InChIKey

QQNCRXJHMWJGQK-UHFFFAOYSA-N

Compound name

2,5-dibromo-4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 279.8483 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]+	280.85558	151.1
[M+Na]+	302.83752	146.7
[M+NH4]+	297.88212	152.9
[M+K]+	318.81146	154.5
[M-H]-	278.84102	152.1
[M+Na-2H]-	300.82297	152.3
[M]+	279.84775	149.6
[M]-	279.84885	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe