CID 11446589

Ethyl 2-(trifluoromethoxy)acetate

Structural Information

Molecular Formula
C5H7F3O3
SMILES
CCOC(=O)COC(F)(F)F
InChI
InChI=1S/C5H7F3O3/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3
InChIKey
UVYNDOUWYIODCV-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.03473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.042006 129.1
[M+Na]+ 195.023948 137.5
[M-H]- 171.027454 125.8
[M+NH4]+ 190.068553 149.5
[M+K]+ 210.997888 137.9
[M+H-H2O]+ 155.031990 122.4
[M+HCOO]- 217.032931 148.5
[M+CH3COO]- 231.048581 177.3
[M+Na-2H]- 193.009396 134.6
[M]+ 172.03418142 128.7
[M]- 172.03527858 128.7
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