CID 84071611

3-bromo-5-fluoro-4-methoxypyridine

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
COC1=C(C=NC=C1F)Br
InChI
InChI=1S/C6H5BrFNO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
InChIKey
DGFFRTDBUSTTFC-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.961136 129.8
[M+Na]+ 227.943078 143.4
[M-H]- 203.946584 134.3
[M+NH4]+ 222.987683 151.6
[M+K]+ 243.917018 133.2
[M+H-H2O]+ 187.951120 129.2
[M+HCOO]- 249.952061 150.8
[M+CH3COO]- 263.967711 182.5
[M+Na-2H]- 225.928526 138.7
[M]+ 204.95331142 148.8
[M]- 204.95440858 148.8
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