CID 98463140

188534-35-2

Structural Information

Molecular Formula
C7H5F11O3S
SMILES
CS(=O)(=O)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F11O3S/c1-22(19,20)21-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3
InChIKey
BRGXVFJOTDAMDP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.97836 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.98564 164.8
[M+Na]+ 400.96758 173.6
[M-H]- 376.97108 152.4
[M+NH4]+ 396.01218 176.0
[M+K]+ 416.94152 171.0
[M+H-H2O]+ 360.97562 152.2
[M+HCOO]- 422.97656 163.6
[M+CH3COO]- 436.99221 212.2
[M+Na-2H]- 398.95303 168.5
[M]+ 377.97781 152.5
[M]- 377.97891 152.5
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.