CID 139597860

N-ethyl-n-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)perfluorooctanesulfonamide

Structural Information

Molecular Formula
C22H30F17NO8S
SMILES
CCN(CCOCCOCCOCCOCCOCCO)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/C22H30F17NO8S/c1-2-40(3-5-44-7-9-46-11-13-48-14-12-47-10-8-45-6-4-41)49(42,43)22(38,39)20(33,34)18(29,30)16(25,26)15(23,24)17(27,28)19(31,32)21(35,36)37/h41H,2-14H2,1H3
InChIKey
XOFYXVVRHPRCEZ-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-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

791.1421 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.14938 156.3
[M+Na]+ 814.13132 156.4
[M+NH4]+ 809.17592 156.5
[M+K]+ 830.10526 156.5
[M-H]- 790.13482 156.3
[M+Na-2H]- 812.11677 156.1
[M]+ 791.14155 156.4
[M]- 791.14265 156.4
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.