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
3
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 226.6
[M+Na]+ 774.06966 227.0
[M-H]- 750.07316 239.1
[M+NH4]+ 769.11426 238.8
[M+K]+ 790.04360 238.6
[M+H-H2O]+ 734.07770 207.6
[M+HCOO]- 796.07864 242.0
[M+CH3COO]- 810.09429 263.4
[M+Na-2H]- 772.05511 220.2
[M]+ 751.07989 227.7
[M]- 751.08099 227.7
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.