CID 10610778

3-bromo-6-chloro-2-methyl-5-nitropyridine

Structural Information

Molecular Formula

C₆H₄BrClN₂O₂

SMILES

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

InChI

InChI=1S/C6H4BrClN2O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3

InChIKey

PVECCSKVOZZRPC-UHFFFAOYSA-N

Compound name

5-bromo-2-chloro-6-methyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 249.91447 Da
Monoisotopic Mass: 2.7
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]+	250.92175	139.2
[M+Na]+	272.90369	153.0
[M-H]-	248.90719	144.9
[M+NH4]+	267.94829	159.4
[M+K]+	288.87763	137.2
[M+H-H2O]+	232.91173	144.0
[M+HCOO]-	294.91267	157.6
[M+CH3COO]-	308.92832	184.0
[M+Na-2H]-	270.88914	148.2
[M]+	249.91392	159.5
[M]-	249.91502	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe