CID 165367158

Dtxsid401105908

Structural Information

Molecular Formula
C13H16F13NO4S
SMILES
CCCN(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/C13H16F13NO4S/c1-2-3-27(4-6-31-7-5-28)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h28H,2-7H2,1H3
InChIKey
YTQRBHJUKOCGCY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-(2-hydroxyethoxy)ethyl]-N-propylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.05927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.06655 181.6
[M+Na]+ 552.04849 186.4
[M-H]- 528.05199 187.4
[M+NH4]+ 547.09309 191.0
[M+K]+ 568.02243 192.8
[M+H-H2O]+ 512.05653 171.6
[M+HCOO]- 574.05747 198.1
[M+CH3COO]- 588.07312 241.0
[M+Na-2H]- 550.03394 177.2
[M]+ 529.05872 181.4
[M]- 529.05982 181.4
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.