CID 55251048

2-bromo-5-fluoropyridine 1-oxide

Structural Information

Molecular Formula
C5H3BrFNO
SMILES
C1=CC(=[N+](C=C1F)[O-])Br
InChI
InChI=1S/C5H3BrFNO/c6-5-2-1-4(7)3-8(5)9/h1-3H
InChIKey
RDZPKTQDXLFGTQ-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

190.9382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94548 128.4
[M+Na]+ 213.92742 142.0
[M-H]- 189.93092 131.9
[M+NH4]+ 208.97202 150.0
[M+K]+ 229.90136 127.2
[M+H-H2O]+ 173.93546 132.9
[M+HCOO]- 235.93640 149.1
[M+CH3COO]- 249.95205 170.7
[M+Na-2H]- 211.91287 138.9
[M]+ 190.93765 144.5
[M]- 190.93875 144.5
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