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
2
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 174.6
[M+Na]+ 454.93932 183.6
[M-H]- 430.94282 158.4
[M+NH4]+ 449.98392 163.1
[M+K]+ 470.91326 180.6
[M+H-H2O]+ 414.94736 160.0
[M+HCOO]- 476.94830 177.0
[M+CH3COO]- 490.96395 220.6
[M+Na-2H]- 452.92477 177.9
[M]+ 431.94955 156.5
[M]- 431.95065 156.5
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

patents stripe