CID 10611703

3,5-bis(bromomethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=C(C=NC=C1CBr)CBr
InChI
InChI=1S/C7H7Br2N/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2-3H2
InChIKey
IVPJVHHHVZSAQI-UHFFFAOYSA-N
Compound name
3,5-bis(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

262.89453 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 130.7
[M+Na]+ 285.883748 142.1
[M-H]- 261.887254 136.6
[M+NH4]+ 280.928353 150.2
[M+K]+ 301.857688 127.0
[M+H-H2O]+ 245.891790 139.1
[M+HCOO]- 307.892731 147.1
[M+CH3COO]- 321.908381 198.3
[M+Na-2H]- 283.869196 140.0
[M]+ 262.89398142 164.9
[M]- 262.89507858 164.9
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

patents stripe