CID 139596523

Qapfsmh n=5

Structural Information

Molecular Formula
C14H22F11N2O5S
SMILES
C[N+](C)(CCC(CO)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CO)O
InChI
InChI=1S/C14H22F11N2O5S/c1-27(2,5-9(30)7-29)4-3-8(6-28)26-33(31,32)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h8-9,26,28-30H,3-7H2,1-2H3/q+1
InChIKey
OYVKWISFZJKPGB-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl-[4-hydroxy-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.10736 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.11464 172.1
[M+Na]+ 562.09658 173.2
[M+NH4]+ 557.14118 174.0
[M+K]+ 578.07052 174.4
[M-H]- 538.10008 171.5
[M+Na-2H]- 560.08203 170.8
[M]+ 539.10681 172.6
[M]- 539.10791 172.6
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.