CID 139597975

Etfhxspeg, m=1

Structural Information

Molecular Formula
C12H14F13NO4S
SMILES
CCN(CCOCCO)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/C12H14F13NO4S/c1-2-26(3-5-30-6-4-27)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h27H,2-6H2,1H3
InChIKey
YDGYYISTVLSCCC-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-(2-hydroxyethoxy)ethyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.0436 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.05088 185.4
[M+Na]+ 538.03282 184.7
[M+NH4]+ 533.07742 184.1
[M+K]+ 554.00676 183.5
[M-H]- 514.03632 180.6
[M+Na-2H]- 536.01827 183.1
[M]+ 515.04305 183.8
[M]- 515.04415 183.8
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.