CID 14595221

130284-53-6

Structural Information

Molecular Formula

C₅H₄BrClN₂

SMILES

C1=C(C=NC(=C1Br)Cl)N

InChI

InChI=1S/C5H4BrClN2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2

InChIKey

ISKBXMMELYRESC-UHFFFAOYSA-N

Compound name

5-bromo-6-chloropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 167
Patents: 205.92464 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]+	206.931916	128.8
[M+Na]+	228.913858	142.9
[M-H]-	204.917364	133.9
[M+NH4]+	223.958463	150.9
[M+K]+	244.887798	130.0
[M+H-H2O]+	188.921900	129.4
[M+HCOO]-	250.922841	146.8
[M+CH3COO]-	264.938491	182.7
[M+Na-2H]-	226.899306	137.7
[M]+	205.92409142	147.2
[M]-	205.92518858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe