CID 138394418

10:2 fluorotelomer sulfoxide hydroxyammonium

Structural Information

Molecular Formula
C18H19F21NO2S
SMILES
C[N+](C)(C)CC(CS(=O)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C18H19F21NO2S/c1-40(2,3)6-8(41)7-43(42)5-4-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,41H,4-7H2,1-3H3/q+1
InChIKey
QWJSEIPPFTYHTB-UHFFFAOYSA-N
Compound name
[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

712.08014 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.08742 232.0
[M+Na]+ 735.06936 234.0
[M-H]- 711.07286 242.7
[M+NH4]+ 730.11396 243.7
[M+K]+ 751.04330 247.1
[M+H-H2O]+ 695.07740 214.4
[M+HCOO]- 757.07834 246.0
[M+CH3COO]- 771.09399 262.2
[M+Na-2H]- 733.05481 227.0
[M]+ 712.07959 229.7
[M]- 712.08069 229.7
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.