CID 139595042

Etfhxspeg, m=3

Structural Information

Molecular Formula
C16H22F13NO6S
SMILES
CCN(CCOCCOCCOCCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H22F13NO6S/c1-2-30(3-5-34-7-9-36-10-8-35-6-4-31)37(32,33)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h31H,2-10H2,1H3
InChIKey
GEYQKILWXGOLIK-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

603.096 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.10328 195.4
[M+Na]+ 626.08522 198.7
[M-H]- 602.08872 201.3
[M+NH4]+ 621.12982 206.0
[M+K]+ 642.05916 206.1
[M+H-H2O]+ 586.09326 185.2
[M+HCOO]- 648.09420 210.6
[M+CH3COO]- 662.10985 252.2
[M+Na-2H]- 624.07067 189.0
[M]+ 603.09545 195.4
[M]- 603.09655 195.4
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.