CID 2762926

4-bromo-3-chloropyridine

Structural Information

Molecular Formula
C5H3BrClN
SMILES
C1=CN=CC(=C1Br)Cl
InChI
InChI=1S/C5H3BrClN/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
CXXVUKYIBWZKHL-UHFFFAOYSA-N
Compound name
4-bromo-3-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
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

No literature data available for this compound.

Patent stripe

patents stripe