CID 21698296

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

Structural Information

Molecular Formula
C8H7ClF3NO
SMILES
C1=CC(=NC=C1CCl)OCC(F)(F)F
InChI
InChI=1S/C8H7ClF3NO/c9-3-6-1-2-7(13-4-6)14-5-8(10,11)12/h1-2,4H,3,5H2
InChIKey
UYAYWTOMHKANJM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.01683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02411 139.6
[M+Na]+ 248.00605 149.8
[M-H]- 224.00955 138.1
[M+NH4]+ 243.05065 157.6
[M+K]+ 263.97999 145.6
[M+H-H2O]+ 208.01409 131.5
[M+HCOO]- 270.01503 154.1
[M+CH3COO]- 284.03068 185.9
[M+Na-2H]- 245.99150 146.2
[M]+ 225.01628 139.4
[M]- 225.01738 139.4
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

patents stripe