CID 2734429

2,5-dibromo-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
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

No literature data available for this compound.

Patent stripe

patents stripe