CID 101591524

Dtxsid00881331

Structural Information

Molecular Formula
C18H24F17N2O7S2
SMILES
C[N+](C)(CCCN(CC(CS(=O)(=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/C18H23F17N2O7S2/c1-37(2,6-7-38)5-3-4-36(8-10(39)9-45(40,41)42)46(43,44)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/h10,38-39H,3-9H2,1-2H3/p+1
InChIKey
KKJRHOQEQOYSBU-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.0753 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.08258 156.0
[M+Na]+ 790.06452 156.1
[M+NH4]+ 785.10912 156.2
[M+K]+ 806.03846 156.2
[M-H]- 766.06802 156.0
[M+Na-2H]- 788.04997 155.8
[M]+ 767.07475 156.1
[M]- 767.07585 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.