CID 139598205

2-hydroxy-n,n-dimethyl-3-sulfo-n-[3-[[(perfluorooctyl)sulfonyl]amino]propyl]-1-propanaminium

Structural Information

Molecular Formula
C16H20F17N2O6S2
SMILES
C[N+](C)(CCCNS(=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)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C16H19F17N2O6S2/c1-35(2,6-8(36)7-42(37,38)39)5-3-4-34-43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h8,34,36H,3-7H2,1-2H3/p+1
InChIKey
ZKDHLDZZGVKZIS-UHFFFAOYSA-O
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

723.04913 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.05641 155.8
[M+Na]+ 746.03835 155.9
[M+NH4]+ 741.08295 156.0
[M+K]+ 762.01229 156.0
[M-H]- 722.04185 155.8
[M+Na-2H]- 744.02380 155.6
[M]+ 723.04858 155.9
[M]- 723.04968 155.9
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.