CID 13148955

Ethyl 2-(2,2,2-trifluoroethoxy)acetate

Structural Information

Molecular Formula
C6H9F3O3
SMILES
CCOC(=O)COCC(F)(F)F
InChI
InChI=1S/C6H9F3O3/c1-2-12-5(10)3-11-4-6(7,8)9/h2-4H2,1H3
InChIKey
GRRZJRBDLWWIJU-UHFFFAOYSA-N
Compound name
ethyl 2-(2,2,2-trifluoroethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.05038 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05766 133.9
[M+Na]+ 209.03960 141.9
[M-H]- 185.04310 130.4
[M+NH4]+ 204.08420 153.8
[M+K]+ 225.01354 142.1
[M+H-H2O]+ 169.04764 127.0
[M+HCOO]- 231.04858 153.0
[M+CH3COO]- 245.06423 180.3
[M+Na-2H]- 207.02505 138.8
[M]+ 186.04983 133.9
[M]- 186.05093 133.9
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