CID 817680

2,5-dibromo-3-methylpyridine

Structural Information

Molecular Formula
C6H5Br2N
SMILES
CC1=CC(=CN=C1Br)Br
InChI
InChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKey
LIMXEVCFAUTBCK-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

726
Patents

248.87888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.886156 125.9
[M+Na]+ 271.868098 138.4
[M-H]- 247.871604 132.3
[M+NH4]+ 266.912703 146.1
[M+K]+ 287.842038 123.5
[M+H-H2O]+ 231.876140 134.5
[M+HCOO]- 293.877081 142.5
[M+CH3COO]- 307.892731 196.9
[M+Na-2H]- 269.853546 135.2
[M]+ 248.87833142 160.1
[M]- 248.87942858 160.1
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