CID 145913713

5-bromo-2-fluoro-3-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H4BrF4NO
SMILES
C1=C(C=NC(=C1OCC(F)(F)F)F)Br
InChI
InChI=1S/C7H4BrF4NO/c8-4-1-5(6(9)13-2-4)14-3-7(10,11)12/h1-2H,3H2
InChIKey
OSBVFFGJTWAJAQ-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-3-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.94125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.94853 147.9
[M+Na]+ 295.93047 161.6
[M-H]- 271.93397 148.6
[M+NH4]+ 290.97507 166.9
[M+K]+ 311.90441 150.1
[M+H-H2O]+ 255.93851 144.7
[M+HCOO]- 317.93945 163.9
[M+CH3COO]- 331.95510 192.9
[M+Na-2H]- 293.91592 154.5
[M]+ 272.94070 163.0
[M]- 272.94180 163.0
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