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

178
Patents

190.91374 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe