CID 87188319

2-bromo-6-(2-bromoethyl)pyridine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=CC(=NC(=C1)Br)CCBr
InChI
InChI=1S/C7H7Br2N/c8-5-4-6-2-1-3-7(9)10-6/h1-3H,4-5H2
InChIKey
DTFPVZAJIKOERM-UHFFFAOYSA-N
Compound name
2-bromo-6-(2-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.89453 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe