CID 139596128

Qapfsmd n=7

Structural Information

Molecular Formula
C14H18F15N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C14H18F15N2O3S/c1-31(2,6-7-32)5-3-4-30-35(33,34)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h30,32H,3-7H2,1-2H3/q+1
InChIKey
MSWCXVZOAMQIMJ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.07983 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.08711 158.9
[M+Na]+ 602.06905 159.2
[M+NH4]+ 597.11365 159.4
[M+K]+ 618.04299 159.5
[M-H]- 578.07255 158.8
[M+Na-2H]- 600.05450 158.5
[M]+ 579.07928 159.1
[M]- 579.08038 159.1
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.