CID 122163826

Tert-butyl 4-(trifluoromethanesulfonyloxy)-2,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C10H13F3O6S
SMILES
CC(C)(C)OC(=O)C1=C(COC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H13F3O6S/c1-9(2,3)18-8(14)6-4-17-5-7(6)19-20(15,16)10(11,12)13/h4-5H2,1-3H3
InChIKey
UASQEKJMQUPVAQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(trifluoromethylsulfonyloxy)-2,5-dihydrofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04576 161.6
[M+Na]+ 341.02770 169.6
[M-H]- 317.03120 162.4
[M+NH4]+ 336.07230 177.0
[M+K]+ 357.00164 170.1
[M+H-H2O]+ 301.03574 155.2
[M+HCOO]- 363.03668 172.4
[M+CH3COO]- 377.05233 197.9
[M+Na-2H]- 339.01315 165.1
[M]+ 318.03793 164.9
[M]- 318.03903 164.9
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.