CID 21551819

3-bromo-2,6-dichloropyridine

Structural Information

Molecular Formula
C5H2BrCl2N
SMILES
C1=CC(=NC(=C1Br)Cl)Cl
InChI
InChI=1S/C5H2BrCl2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
PZHASTRIYXMWKM-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dichloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

224.87477 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.882046 127.5
[M+Na]+ 247.863988 143.1
[M-H]- 223.867494 132.6
[M+NH4]+ 242.908593 149.9
[M+K]+ 263.837928 129.7
[M+H-H2O]+ 207.872030 129.5
[M+HCOO]- 269.872971 140.3
[M+CH3COO]- 283.888621 183.5
[M+Na-2H]- 245.849436 136.8
[M]+ 224.87422142 148.2
[M]- 224.87531858 148.2
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