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]+ 490.11785 190.0
[M+Na]+ 512.09979 193.2
[M-H]- 488.10329 197.3
[M+NH4]+ 507.14439 194.2
[M+K]+ 528.07373 195.0
[M+H-H2O]+ 472.10783 174.3
[M+HCOO]- 534.10877 202.3
[M+CH3COO]- 548.12442 225.7
[M+Na-2H]- 510.08524 182.1
[M]+ 489.11002 185.3
[M]- 489.11112 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.