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]+ 216.04782 139.4
[M+Na]+ 238.02976 145.8
[M-H]- 214.03326 134.5
[M+NH4]+ 233.07436 156.7
[M+K]+ 254.00370 145.9
[M+H-H2O]+ 198.03780 132.2
[M+HCOO]- 260.03874 156.4
[M+CH3COO]- 274.05439 184.8
[M+Na-2H]- 236.01521 141.6
[M]+ 215.03999 135.9
[M]- 215.04109 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.