CID 139596357

Etfhpspeg, m=5

Structural Information

Molecular Formula
C21H30F15NO8S
SMILES
CCN(CCOCCOCCOCCOCCOCCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H30F15NO8S/c1-2-37(3-5-41-7-9-43-11-13-45-14-12-44-10-8-42-6-4-38)46(39,40)21(35,36)19(30,31)17(26,27)15(22,23)16(24,25)18(28,29)20(32,33)34/h38H,2-14H2,1H3
InChIKey
OATHMZPJOUPNIN-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

741.14526 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.15254 218.8
[M+Na]+ 764.13448 220.0
[M-H]- 740.13798 226.0
[M+NH4]+ 759.17908 231.6
[M+K]+ 780.10842 230.9
[M+H-H2O]+ 724.14252 207.1
[M+HCOO]- 786.14346 232.0
[M+CH3COO]- 800.15911 271.9
[M+Na-2H]- 762.11993 210.5
[M]+ 741.14471 219.9
[M]- 741.14581 219.9
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.