CID 10928174

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C7H2F14O3S
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H2F14O3S/c8-2(9,1-24-25(22,23)7(19,20)21)3(10,11)4(12,13)5(14,15)6(16,17)18/h1H2
InChIKey
OJCJXJDRDHYJSH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

431.9501 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.95738 176.4
[M+Na]+ 454.93932 176.2
[M+NH4]+ 449.98392 175.6
[M+K]+ 470.91326 175.3
[M-H]- 430.94282 172.7
[M+Na-2H]- 452.92477 175.0
[M]+ 431.94955 175.2
[M]- 431.95065 175.2
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

patents stripe