CID 139596985

2-((1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)oxy)- 1,1,2,2-tetrafluoroethane-1-sulfonic acid

Structural Information

Molecular Formula
C8H2F16O4S
SMILES
C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F16O4S/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)28-7(21,22)8(23,24)29(25,26)27/h1H,(H,25,26,27)
InChIKey
RVODMNZNWMCSJP-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

497.94183 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.949106 163.2
[M+Na]+ 520.931048 166.7
[M-H]- 496.934554 169.9
[M+NH4]+ 515.975653 172.7
[M+K]+ 536.904988 174.3
[M+H-H2O]+ 480.939090 152.7
[M+HCOO]- 542.940031 181.4
[M+CH3COO]- 556.955681 230.4
[M+Na-2H]- 518.916496 161.6
[M]+ 497.94128142 163.8
[M]- 497.94237858 163.8
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

No patent data available for this compound.