CID 2763285

5-bromo-2-chloro-3-fluoropyridine

Structural Information

Molecular Formula
C5H2BrClFN
SMILES
C1=C(C=NC(=C1F)Cl)Br
InChI
InChI=1S/C5H2BrClFN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey
OEKXUEWGXWCENG-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

717
Patents

208.90433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.91161 126.4
[M+Na]+ 231.89355 141.5
[M-H]- 207.89705 130.9
[M+NH4]+ 226.93815 149.1
[M+K]+ 247.86749 129.1
[M+H-H2O]+ 191.90159 127.0
[M+HCOO]- 253.90253 143.2
[M+CH3COO]- 267.91818 181.5
[M+Na-2H]- 229.87900 135.7
[M]+ 208.90378 145.5
[M]- 208.90488 145.5
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

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