CID 455953

Allofuranose deriv.

Structural Information

Molecular Formula
C13H19F3O8S
SMILES
CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OS(=O)(=O)C(F)(F)F)C
InChI
InChI=1S/C13H19F3O8S/c1-11(2)19-5-6(21-11)7-8(24-25(17,18)13(14,15)16)9-10(20-7)23-12(3,4)22-9/h6-10H,5H2,1-4H3
InChIKey
VVOYXQBDMGGDJZ-UHFFFAOYSA-N
Compound name
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.0753 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08258 171.6
[M+Na]+ 415.06452 180.8
[M-H]- 391.06802 178.8
[M+NH4]+ 410.10912 187.4
[M+K]+ 431.03846 185.9
[M+H-H2O]+ 375.07256 173.4
[M+HCOO]- 437.07350 178.3
[M+CH3COO]- 451.08915 212.8
[M+Na-2H]- 413.04997 177.6
[M]+ 392.07475 178.6
[M]- 392.07585 178.6
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

No patent data available for this compound.