CID 139598274

Qapfsmh n=4

Structural Information

Molecular Formula
C13H22F9N2O5S
SMILES
C[N+](C)(CCC(CO)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(CO)O
InChI
InChI=1S/C13H22F9N2O5S/c1-24(2,5-9(27)7-26)4-3-8(6-25)23-30(28,29)13(21,22)11(16,17)10(14,15)12(18,19)20/h8-9,23,25-27H,3-7H2,1-2H3/q+1
InChIKey
ZUHZMUYSOWMRAJ-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl-[4-hydroxy-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.11057 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.11785 180.3
[M+Na]+ 512.09979 182.1
[M+NH4]+ 507.14439 183.3
[M+K]+ 528.07373 184.2
[M-H]- 488.10329 179.1
[M+Na-2H]- 510.08524 178.2
[M]+ 489.11002 181.0
[M]- 489.11112 181.0
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.