CID 139596844

Qapfsmf n=6

Structural Information

Molecular Formula
C15H22F13N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C15H22F13N2O4S/c1-30(2,7-9-32)6-3-4-29(5-8-31)35(33,34)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h31-32H,3-9H2,1-2H3/q+1
InChIKey
QWCSJPDFPIQWOG-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.10925 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.11653 165.0
[M+Na]+ 596.09847 165.5
[M+NH4]+ 591.14307 166.0
[M+K]+ 612.07241 166.1
[M-H]- 572.10197 164.7
[M+Na-2H]- 594.08392 164.2
[M]+ 573.10870 165.2
[M]- 573.10980 165.2
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.