CID 139595290

Etfhxspeg, m=2

Structural Information

Molecular Formula
C14H18F13NO5S
SMILES
CCN(CCOCCOCCO)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/C14H18F13NO5S/c1-2-28(3-5-32-7-8-33-6-4-29)34(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h29H,2-8H2,1H3
InChIKey
HRJLASDCBJWVKZ-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

559.0698 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.07708 186.5
[M+Na]+ 582.05902 190.7
[M-H]- 558.06252 192.5
[M+NH4]+ 577.10362 196.5
[M+K]+ 598.03296 197.4
[M+H-H2O]+ 542.06706 176.5
[M+HCOO]- 604.06800 202.6
[M+CH3COO]- 618.08365 245.4
[M+Na-2H]- 580.04447 181.3
[M]+ 559.06925 186.4
[M]- 559.07035 186.4
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.