CID 138394407

N:2 ftsaoham n=4

Structural Information

Molecular Formula
C16H19F17NO2S
SMILES
C[N+](C)(C)CC(CS(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H19F17NO2S/c1-34(2,3)6-8(35)7-37(36)5-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,35H,4-7H2,1-3H3/q+1
InChIKey
LBARVAMNZJYCAW-UHFFFAOYSA-N
Compound name
[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfinyl)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

612.0865 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.09378 216.9
[M+Na]+ 635.07572 220.0
[M-H]- 611.07922 225.2
[M+NH4]+ 630.12032 227.1
[M+K]+ 651.04966 229.9
[M+H-H2O]+ 595.08376 200.5
[M+HCOO]- 657.08470 231.9
[M+CH3COO]- 671.10035 250.0
[M+Na-2H]- 633.06117 211.2
[M]+ 612.08595 214.7
[M]- 612.08705 214.7
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.