CID 51356623

1267467-45-7

Structural Information

Molecular Formula

C₆H₆BrClN₂

SMILES

CNC1=C(C=C(C=N1)Cl)Br

InChI

InChI=1S/C6H6BrClN2/c1-9-6-5(7)2-4(8)3-10-6/h2-3H,1H3,(H,9,10)

InChIKey

YFAHCYUOTLPTBE-UHFFFAOYSA-N

Compound name

3-bromo-5-chloro-N-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.94029 Da
Monoisotopic Mass: 2.5
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	132.6
[M+Na]+	242.92951	146.2
[M-H]-	218.93301	138.0
[M+NH4]+	237.97411	154.4
[M+K]+	258.90345	133.5
[M+H-H2O]+	202.93755	132.9
[M+HCOO]-	264.93849	150.8
[M+CH3COO]-	278.95414	186.1
[M+Na-2H]-	240.91496	141.9
[M]+	219.93974	152.2
[M]-	219.94084	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe