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
2
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 204.4
[M+Na]+ 596.09847 208.2
[M-H]- 572.10197 213.8
[M+NH4]+ 591.14307 213.2
[M+K]+ 612.07241 214.2
[M+H-H2O]+ 556.10651 187.7
[M+HCOO]- 618.10745 221.4
[M+CH3COO]- 632.12310 244.0
[M+Na-2H]- 594.08392 197.8
[M]+ 573.10870 201.8
[M]- 573.10980 201.8
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.