CID 693324

3-bromo-2-chloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1770
Patents

190.91374 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.921016 123.6
[M+Na]+ 213.902958 137.8
[M-H]- 189.906464 129.1
[M+NH4]+ 208.947563 146.7
[M+K]+ 229.876898 125.9
[M+H-H2O]+ 173.911000 124.9
[M+HCOO]- 235.911941 141.4
[M+CH3COO]- 249.927591 177.9
[M+Na-2H]- 211.888406 134.2
[M]+ 190.91319142 143.4
[M]- 190.91428858 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