CID 165944604

Ethyl 2-hydroxy-2-(2,2,2-trifluoroacetamido)acetate

Structural Information

Molecular Formula
C6H8F3NO4
SMILES
CCOC(=O)C(NC(=O)C(F)(F)F)O
InChI
InChI=1S/C6H8F3NO4/c1-2-14-4(12)3(11)10-5(13)6(7,8)9/h3,11H,2H2,1H3,(H,10,13)
InChIKey
SQZIYHXTPHHRHT-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04054 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.047816 139.4
[M+Na]+ 238.029758 145.8
[M-H]- 214.033264 134.5
[M+NH4]+ 233.074363 156.7
[M+K]+ 254.003698 145.9
[M+H-H2O]+ 198.037800 132.2
[M+HCOO]- 260.038741 156.4
[M+CH3COO]- 274.054391 184.8
[M+Na-2H]- 236.015206 141.6
[M]+ 215.03999142 135.9
[M]- 215.04108858 135.9
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

No patent data available for this compound.