CID 139595339

N-ethyl-n-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]perfluoro-1-octanesulfonamide

Structural Information

Molecular Formula
C16H18F17NO5S
SMILES
CCN(CCOCCOCCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H18F17NO5S/c1-2-34(3-5-38-7-8-39-6-4-35)40(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h35H,2-8H2,1H3
InChIKey
HXKXDJLFBSNDDL-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

659.0634 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.07068 155.7
[M+Na]+ 682.05262 155.8
[M+NH4]+ 677.09722 155.9
[M+K]+ 698.02656 156.0
[M-H]- 658.05612 155.7
[M+Na-2H]- 680.03807 155.5
[M]+ 659.06285 155.8
[M]- 659.06395 155.8
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.