CID 10999437

Ethyl (r)-2-(trifluoromethylsulfonyloxy)propionate

Structural Information

Molecular Formula
C6H9F3O5S
SMILES
CCOC(=O)[C@@H](C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C6H9F3O5S/c1-3-13-5(10)4(2)14-15(11,12)6(7,8)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey
RYSBPHXTNVWICH-SCSAIBSYSA-N
Compound name
ethyl (2R)-2-(trifluoromethylsulfonyloxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

250.01228 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01956 143.9
[M+Na]+ 273.00150 151.7
[M-H]- 249.00500 140.6
[M+NH4]+ 268.04610 161.2
[M+K]+ 288.97544 151.4
[M+H-H2O]+ 233.00954 136.8
[M+HCOO]- 295.01048 155.8
[M+CH3COO]- 309.02613 187.7
[M+Na-2H]- 270.98695 146.0
[M]+ 250.01173 146.3
[M]- 250.01283 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe