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
2
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]+ 490.117846 190.0
[M+Na]+ 512.099788 193.2
[M-H]- 488.103294 197.3
[M+NH4]+ 507.144393 194.2
[M+K]+ 528.073728 195.0
[M+H-H2O]+ 472.107830 174.3
[M+HCOO]- 534.108771 202.3
[M+CH3COO]- 548.124421 225.7
[M+Na-2H]- 510.085236 182.1
[M]+ 489.11002142 185.3
[M]- 489.11111858 185.3
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.