CID 138878

2-amino-5-bromo-3-nitropyridine

Structural Information

Molecular Formula

C₅H₄BrN₃O₂

SMILES

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

InChI

InChI=1S/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)

InChIKey

QOOCOFOGYRQPPN-UHFFFAOYSA-N

Compound name

5-bromo-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 570
Patents: 216.94868 Da
Monoisotopic Mass: 1.6
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]+	217.95596	133.0
[M+Na]+	239.93790	144.6
[M-H]-	215.94140	138.2
[M+NH4]+	234.98250	152.7
[M+K]+	255.91184	130.0
[M+H-H2O]+	199.94594	136.1
[M+HCOO]-	261.94688	156.4
[M+CH3COO]-	275.96253	180.1
[M+Na-2H]-	237.92335	142.9
[M]+	216.94813	149.0
[M]-	216.94923	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe