CID 817098

2-bromo-5-chloropyridine

Structural Information

Molecular Formula
C5H3BrClN
SMILES
C1=CC(=NC=C1Cl)Br
InChI
InChI=1S/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey
BZUUVQCSPHPUQA-UHFFFAOYSA-N
Compound name
2-bromo-5-chloropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2012
Patents

190.91374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.92102 123.6
[M+Na]+ 213.90296 137.8
[M-H]- 189.90646 129.1
[M+NH4]+ 208.94756 146.7
[M+K]+ 229.87690 125.9
[M+H-H2O]+ 173.91100 124.9
[M+HCOO]- 235.91194 141.4
[M+CH3COO]- 249.92759 177.9
[M+Na-2H]- 211.88841 134.2
[M]+ 190.91319 143.4
[M]- 190.91429 143.4
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