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
2
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 177.8
[M+Na]+ 538.03282 182.8
[M-H]- 514.03632 183.9
[M+NH4]+ 533.07742 187.2
[M+K]+ 554.00676 188.8
[M+H-H2O]+ 498.04086 167.9
[M+HCOO]- 560.04180 194.7
[M+CH3COO]- 574.05745 238.4
[M+Na-2H]- 536.01827 173.9
[M]+ 515.04305 177.7
[M]- 515.04415 177.7
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.