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
1
Annotation Hits

0
References

687
Patents

248.87888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.88616 138.2
[M+Na]+ 271.86810 134.5
[M+NH4]+ 266.91270 140.8
[M+K]+ 287.84204 140.5
[M-H]- 247.87160 139.2
[M+Na-2H]- 269.85355 140.9
[M]+ 248.87833 136.9
[M]- 248.87943 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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