CID 53395599

1257535-43-5

Structural Information

Molecular Formula

C₆H₆BrClN₂

SMILES

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

InChI

InChI=1S/C6H6BrClN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H,2,9H2

InChIKey

FMQYHLKNAQPFLS-UHFFFAOYSA-N

Compound name

(3-bromo-5-chloropyridin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 219.94029 Da
Monoisotopic Mass: 1.1
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]+	220.94757	136.4
[M+Na]+	242.92951	141.1
[M+NH4]+	237.97411	141.9
[M+K]+	258.90345	140.2
[M-H]-	218.93301	137.5
[M+Na-2H]-	240.91496	140.8
[M]+	219.93974	136.5
[M]-	219.94084	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe