CID 130140078

2-bromo-3-(1-bromoethyl)pyridine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CC(C1=C(N=CC=C1)Br)Br
InChI
InChI=1S/C7H7Br2N/c1-5(8)6-3-2-4-10-7(6)9/h2-5H,1H3
InChIKey
DNHMQIJPPHPCQV-UHFFFAOYSA-N
Compound name
2-bromo-3-(1-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.89453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 131.9
[M+Na]+ 285.883748 143.1
[M-H]- 261.887254 137.9
[M+NH4]+ 280.928353 151.4
[M+K]+ 301.857688 128.3
[M+H-H2O]+ 245.891790 140.3
[M+HCOO]- 307.892731 147.5
[M+CH3COO]- 321.908381 198.9
[M+Na-2H]- 283.869196 140.2
[M]+ 262.89398142 165.6
[M]- 262.89507858 165.6
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