CID 213285

Ethyl p-trifluoromethylphenoxyisobutyrate

Structural Information

Molecular Formula
C13H15F3O3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H15F3O3/c1-4-18-11(17)12(2,3)19-10-7-5-9(6-8-10)13(14,15)16/h5-8H,4H2,1-3H3
InChIKey
IVXAXCRTPLIJRU-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.09732 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10460 158.4
[M+Na]+ 299.08654 166.1
[M-H]- 275.09004 158.2
[M+NH4]+ 294.13114 174.8
[M+K]+ 315.06048 164.4
[M+H-H2O]+ 259.09458 150.3
[M+HCOO]- 321.09552 175.2
[M+CH3COO]- 335.11117 198.2
[M+Na-2H]- 297.07199 162.5
[M]+ 276.09677 158.4
[M]- 276.09787 158.4
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