CID 4281884

480438-48-0

Structural Information

Molecular Formula
C18H19F9O12S
SMILES
CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H19F9O12S/c1-6(28)34-5-10-11(35-7(2)29)12(36-8(3)30)13(14(38-10)37-9(4)31)39-40(32,33)18(26,27)16(21,22)15(19,20)17(23,24)25/h10-14H,5H2,1-4H3
InChIKey
RHEYHPACKVZWRD-UHFFFAOYSA-N
Compound name
[3,4,6-triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.04535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.05263 180.5
[M+Na]+ 653.03457 183.3
[M+NH4]+ 648.07917 258.5
[M+K]+ 669.00851 186.3
[M-H]- 629.03807 180.5
[M+Na-2H]- 651.02002 212.8
[M]+ 630.04480 182.1
[M]- 630.04590 182.1
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.