CID 139594337

Etfpespeg, m=3

Structural Information

Molecular Formula
C15H22F11NO6S
SMILES
CCN(CCOCCOCCOCCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H22F11NO6S/c1-2-27(3-5-31-7-9-33-10-8-32-6-4-28)34(29,30)15(25,26)13(20,21)11(16,17)12(18,19)14(22,23)24/h28H,2-10H2,1H3
InChIKey
BIQOASKSZAEAMP-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

553.09924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.10652 190.4
[M+Na]+ 576.08846 194.4
[M-H]- 552.09196 194.7
[M+NH4]+ 571.13306 199.8
[M+K]+ 592.06240 199.5
[M+H-H2O]+ 536.09650 181.7
[M+HCOO]- 598.09744 205.9
[M+CH3COO]- 612.11309 244.5
[M+Na-2H]- 574.07391 183.7
[M]+ 553.09869 190.4
[M]- 553.09979 190.4
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.