CID 165986858

2-fluoro-5-(1,1,2,2-tetrafluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H4F5NO
SMILES
C1=CC(=NC=C1OC(C(F)F)(F)F)F
InChI
InChI=1S/C7H4F5NO/c8-5-2-1-4(3-13-5)14-7(11,12)6(9)10/h1-3,6H
InChIKey
OCVCYWVNCBIHJS-UHFFFAOYSA-N
Compound name
2-fluoro-5-(1,1,2,2-tetrafluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.028576 135.7
[M+Na]+ 236.010518 145.2
[M-H]- 212.014024 131.8
[M+NH4]+ 231.055123 152.8
[M+K]+ 251.984458 142.8
[M+H-H2O]+ 196.018560 125.2
[M+HCOO]- 258.019501 151.8
[M+CH3COO]- 272.035151 186.4
[M+Na-2H]- 233.995966 140.7
[M]+ 213.02075142 129.9
[M]- 213.02184858 129.9
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.