CID 118828853

4-bromo-2-fluoro-3-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

204.95386 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96114 129.8
[M+Na]+ 227.94308 143.4
[M-H]- 203.94658 134.3
[M+NH4]+ 222.98768 151.6
[M+K]+ 243.91702 133.2
[M+H-H2O]+ 187.95112 129.2
[M+HCOO]- 249.95206 150.8
[M+CH3COO]- 263.96771 182.5
[M+Na-2H]- 225.92853 138.7
[M]+ 204.95331 148.8
[M]- 204.95441 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