CID 10871717

335033-38-0

Structural Information

Molecular Formula

C₆H₆Br₂N₂

SMILES

C1=C(C=NC(=C1CBr)N)Br

InChI

InChI=1S/C6H6Br2N2/c7-2-4-1-5(8)3-10-6(4)9/h1,3H,2H2,(H2,9,10)

InChIKey

ZROJJAPXIGBDIZ-UHFFFAOYSA-N

Compound name

5-bromo-3-(bromomethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 263.88977 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]+	264.89705	131.4
[M+Na]+	286.87899	142.7
[M-H]-	262.88249	137.0
[M+NH4]+	281.92359	150.3
[M+K]+	302.85293	126.8
[M+H-H2O]+	246.88703	138.6
[M+HCOO]-	308.88797	148.0
[M+CH3COO]-	322.90362	199.9
[M+Na-2H]-	284.86444	139.6
[M]+	263.88922	163.9
[M]-	263.89032	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe