CID 18458822

3-bromo-2-methyl-5-nitropyridine

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

CC1=C(C=C(C=N1)[N+](=O)[O-])Br

InChI

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

InChIKey

QWAOQTGMEGSRLN-UHFFFAOYSA-N

Compound name

3-bromo-2-methyl-5-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 215.95345 Da
Monoisotopic Mass: 1.8
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	137.2
[M+Na]+	238.94267	141.9
[M+NH4]+	233.98727	142.0
[M+K]+	254.91661	144.3
[M-H]-	214.94617	138.6
[M+Na-2H]-	236.92812	141.0
[M]+	215.95290	137.0
[M]-	215.95400	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe