CID 80455146

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

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
C1=CC(=NC=C1OCC(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3NO/c8-6-2-1-5(3-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKey
IVFQHDDVMGZAEL-UHFFFAOYSA-N
Compound name
2-chloro-5-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00845 140.1
[M+Na]+ 233.99039 150.6
[M+NH4]+ 229.03499 146.2
[M+K]+ 249.96433 145.0
[M-H]- 209.99389 136.9
[M+Na-2H]- 231.97584 145.4
[M]+ 211.00062 140.7
[M]- 211.00172 140.7
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.