CID 10901078

2-bromo-3-(bromomethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

248.87888 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.88616 138.8
[M+Na]+ 271.86810 134.8
[M+NH4]+ 266.91270 141.4
[M+K]+ 287.84204 140.8
[M-H]- 247.87160 139.7
[M+Na-2H]- 269.85355 141.5
[M]+ 248.87833 137.5
[M]- 248.87943 137.5
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

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