CID 115371687

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

Structural Information

Molecular Formula
C7H5F4NO
SMILES
C1=CC(=NC=C1OCC(F)(F)F)F
InChI
InChI=1S/C7H5F4NO/c8-6-2-1-5(3-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKey
FLALLRVAPONXPW-UHFFFAOYSA-N
Compound name
2-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03073 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03801 133.2
[M+Na]+ 218.01995 143.1
[M-H]- 194.02345 130.7
[M+NH4]+ 213.06455 151.4
[M+K]+ 233.99389 140.7
[M+H-H2O]+ 178.02799 123.8
[M+HCOO]- 240.02893 151.5
[M+CH3COO]- 254.04458 181.9
[M+Na-2H]- 216.00540 140.1
[M]+ 195.03018 129.4
[M]- 195.03128 129.4
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

No patent data available for this compound.