CID 21441081

3-bromo-2-(bromomethyl)pyridine

Structural Information

Molecular Formula
C6H5Br2N
SMILES
C1=CC(=C(N=C1)CBr)Br
InChI
InChI=1S/C6H5Br2N/c7-4-6-5(8)2-1-3-9-6/h1-3H,4H2
InChIKey
FVIZOBDAEIFYGH-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

248.87888 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.886156 126.5
[M+Na]+ 271.868098 138.3
[M-H]- 247.871604 132.6
[M+NH4]+ 266.912703 146.5
[M+K]+ 287.842038 123.4
[M+H-H2O]+ 231.876140 135.1
[M+HCOO]- 293.877081 143.2
[M+CH3COO]- 307.892731 196.1
[M+Na-2H]- 269.853546 136.4
[M]+ 248.87833142 160.5
[M]- 248.87942858 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe