CID 71427771

2-bromo-5-(3-bromopropyl)pyridine

Structural Information

Molecular Formula
C8H9Br2N
SMILES
C1=CC(=NC=C1CCCBr)Br
InChI
InChI=1S/C8H9Br2N/c9-5-1-2-7-3-4-8(10)11-6-7/h3-4,6H,1-2,5H2
InChIKey
WIILGEDIDYFKEN-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-bromopropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.91016 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.91744 134.8
[M+Na]+ 299.89938 145.9
[M-H]- 275.90288 140.6
[M+NH4]+ 294.94398 153.9
[M+K]+ 315.87332 130.6
[M+H-H2O]+ 259.90742 143.0
[M+HCOO]- 321.90836 150.9
[M+CH3COO]- 335.92401 200.6
[M+Na-2H]- 297.88483 143.7
[M]+ 276.90961 169.3
[M]- 276.91071 169.3
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