CID 23438062

5-bromo-2-(bromomethyl)pyridine

Structural Information

Molecular Formula
C6H5Br2N
SMILES
C1=CC(=NC=C1Br)CBr
InChI
InChI=1S/C6H5Br2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKey
PKCHRWPMNDRVMI-UHFFFAOYSA-N
Compound name
5-bromo-2-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
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

No literature data available for this compound.

Patent stripe

patents stripe