CID 165948642

3-bromo-5-(fluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=C(C=NC=C1Br)OCF
InChI
InChI=1S/C6H5BrFNO/c7-5-1-6(10-4-8)3-9-2-5/h1-3H,4H2
InChIKey
KPSAOWVFFAFBIU-UHFFFAOYSA-N
Compound name
3-bromo-5-(fluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.95386 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.961136 130.3
[M+Na]+ 227.943078 143.1
[M-H]- 203.946584 134.5
[M+NH4]+ 222.987683 151.9
[M+K]+ 243.917018 132.8
[M+H-H2O]+ 187.951120 129.6
[M+HCOO]- 249.952061 151.4
[M+CH3COO]- 263.967711 181.4
[M+Na-2H]- 225.928526 139.9
[M]+ 204.95331142 149.0
[M]- 204.95440858 149.0
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