CID 29919300

215364-85-5

Structural Information

Molecular Formula

C₅H₄BrClN₂

SMILES

C1=CN=C(C(=C1N)Br)Cl

InChI

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

InChIKey

KTWAUKYSQFZIET-UHFFFAOYSA-N

Compound name

3-bromo-2-chloropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
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]+	206.93192	131.8
[M+Na]+	228.91386	136.7
[M+NH4]+	223.95846	137.5
[M+K]+	244.88780	136.0
[M-H]-	204.91736	133.0
[M+Na-2H]-	226.89931	136.5
[M]+	205.92409	131.9
[M]-	205.92519	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe