CID 19926089

2-bromo-4-methyl-3-nitro-pyridine

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

CC1=C(C(=NC=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H5BrN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3

InChIKey

LRYKMSPHPLXBHF-UHFFFAOYSA-N

Compound name

2-bromo-4-methyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 215.95345 Da
Monoisotopic Mass: 2.1
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]+	216.96073	134.0
[M+Na]+	238.94267	146.4
[M-H]-	214.94617	139.8
[M+NH4]+	233.98727	154.6
[M+K]+	254.91661	132.4
[M+H-H2O]+	198.95071	138.0
[M+HCOO]-	260.95165	156.9
[M+CH3COO]-	274.96730	179.3
[M+Na-2H]-	236.92812	144.2
[M]+	215.95290	152.3
[M]-	215.95400	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe