CID 6424660

2-bromo-5-bromomethylpyridine

Structural Information

Molecular Formula
C6H5Br2N
SMILES
C1=CC(=NC=C1CBr)Br
InChI
InChI=1S/C6H5Br2N/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKey
CRRMIKBAPPOPNW-UHFFFAOYSA-N
Compound name
2-bromo-5-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

908
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 126.5
[M+Na]+ 271.86810 138.3
[M-H]- 247.87160 132.6
[M+NH4]+ 266.91270 146.5
[M+K]+ 287.84204 123.4
[M+H-H2O]+ 231.87614 135.1
[M+HCOO]- 293.87708 143.2
[M+CH3COO]- 307.89273 196.1
[M+Na-2H]- 269.85355 136.4
[M]+ 248.87833 160.5
[M]- 248.87943 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