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

634
Patents

208.90433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.911606 126.4
[M+Na]+ 231.893548 141.5
[M-H]- 207.897054 130.9
[M+NH4]+ 226.938153 149.1
[M+K]+ 247.867488 129.1
[M+H-H2O]+ 191.901590 127.0
[M+HCOO]- 253.902531 143.2
[M+CH3COO]- 267.918181 181.5
[M+Na-2H]- 229.878996 135.7
[M]+ 208.90378142 145.5
[M]- 208.90487858 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

patents stripe