CID 28880437

787575-51-3

Structural Information

Molecular Formula
C10H9F3O3
SMILES
COC(=O)COC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C10H9F3O3/c1-15-9(14)6-16-8-5-3-2-4-7(8)10(11,12)13/h2-5H,6H2,1H3
InChIKey
HFBZMRWMIBCZKC-UHFFFAOYSA-N
Compound name
methyl 2-[2-(trifluoromethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

234.05038 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 144.9
[M+Na]+ 257.039598 153.5
[M-H]- 233.043104 144.9
[M+NH4]+ 252.084203 162.9
[M+K]+ 273.013538 152.0
[M+H-H2O]+ 217.047640 136.7
[M+HCOO]- 279.048581 164.3
[M+CH3COO]- 293.064231 188.7
[M+Na-2H]- 255.025046 149.7
[M]+ 234.04983142 144.4
[M]- 234.05092858 144.4
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