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]+ 235.05766 144.9
[M+Na]+ 257.03960 153.5
[M-H]- 233.04310 144.9
[M+NH4]+ 252.08420 162.9
[M+K]+ 273.01354 152.0
[M+H-H2O]+ 217.04764 136.7
[M+HCOO]- 279.04858 164.3
[M+CH3COO]- 293.06423 188.7
[M+Na-2H]- 255.02505 149.7
[M]+ 234.04983 144.4
[M]- 234.05093 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