CID 817683

3430-29-3

Structural Information

Molecular Formula

C₆H₆Br₂N₂

SMILES

CC1=C(C(=NC=C1Br)N)Br

InChI

InChI=1S/C6H6Br2N2/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3,(H2,9,10)

InChIKey

LLGXZSVWYCKUBB-UHFFFAOYSA-N

Compound name

3,5-dibromo-4-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 263.88977 Da
Monoisotopic Mass: 2.3
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]+	264.89705	131.0
[M+Na]+	286.87899	143.1
[M-H]-	262.88249	136.9
[M+NH4]+	281.92359	150.2
[M+K]+	302.85293	127.1
[M+H-H2O]+	246.88703	138.3
[M+HCOO]-	308.88797	147.6
[M+CH3COO]-	322.90362	200.8
[M+Na-2H]-	284.86444	138.7
[M]+	263.88922	163.8
[M]-	263.89032	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe