CID 109967

Qapfsmi n=8

Structural Information

Molecular Formula
C18H24F17N2O6S2
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C18H23F17N2O6S2/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h38H,3-10H2,1-2H3/p+1
InChIKey
FZCRAUGJBWCZQX-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

751.08044 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.08772 156.0
[M+Na]+ 774.06966 156.1
[M+NH4]+ 769.11426 156.2
[M+K]+ 790.04360 156.2
[M-H]- 750.07316 156.0
[M+Na-2H]- 772.05511 155.8
[M]+ 751.07989 156.1
[M]- 751.08099 156.1
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.