CID 142734472

2-bromo-5-(fluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=CC(=NC=C1OCF)Br
InChI
InChI=1S/C6H5BrFNO/c7-6-2-1-5(3-9-6)10-4-8/h1-3H,4H2
InChIKey
YPOBVSAOVYIWIN-UHFFFAOYSA-N
Compound name
2-bromo-5-(fluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.95386 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96114 130.3
[M+Na]+ 227.94308 143.1
[M-H]- 203.94658 134.5
[M+NH4]+ 222.98768 151.9
[M+K]+ 243.91702 132.8
[M+H-H2O]+ 187.95112 129.6
[M+HCOO]- 249.95206 151.4
[M+CH3COO]- 263.96771 181.4
[M+Na-2H]- 225.92853 139.9
[M]+ 204.95331 149.0
[M]- 204.95441 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