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
2
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 195.5
[M+Na]+ 562.09658 198.0
[M-H]- 538.10008 204.4
[M+NH4]+ 557.14118 201.0
[M+K]+ 578.07052 202.2
[M+H-H2O]+ 522.10462 178.4
[M+HCOO]- 584.10556 207.6
[M+CH3COO]- 598.12121 234.1
[M+Na-2H]- 560.08203 187.8
[M]+ 539.10681 190.7
[M]- 539.10791 190.7
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.