CID 22568764

Potassium 3-oxaperfluorononane sulfonate

Structural Information

Molecular Formula
C8HF17O4S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O4S/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)6(20,21)29-7(22,23)8(24,25)30(26,27)28/h(H,26,27,28)
InChIKey
VFIFNBRMFPEUOK-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

515.93243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.93971 163.9
[M+Na]+ 538.92165 163.9
[M+NH4]+ 533.96625 163.7
[M+K]+ 554.89559 164.1
[M-H]- 514.92515 162.5
[M+Na-2H]- 536.90710 164.0
[M]+ 515.93188 163.5
[M]- 515.93298 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe