CID 146155272

4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl acetate

Structural Information

Molecular Formula
C14H10F3NO3
SMILES
CC(=O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H10F3NO3/c1-9(19)20-11-3-5-12(6-4-11)21-13-7-2-10(8-18-13)14(15,16)17/h2-8H,1H3
InChIKey
IFGDGASKZXKARK-UHFFFAOYSA-N
Compound name
[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 162.3
[M+Na]+ 320.05050 171.2
[M-H]- 296.05400 164.1
[M+NH4]+ 315.09510 176.0
[M+K]+ 336.02444 167.9
[M+H-H2O]+ 280.05854 151.5
[M+HCOO]- 342.05948 180.3
[M+CH3COO]- 356.07513 200.3
[M+Na-2H]- 318.03595 166.7
[M]+ 297.06073 161.5
[M]- 297.06183 161.5
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.