CID 139596849

Mopflsa n=5

Structural Information

Molecular Formula
C9HF19O5S
SMILES
C(C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C9HF19O5S/c10-1(11,3(14,15)9(27,28)34(29,30)31)2(12,13)5(19,20)32-7(23,24)8(25,26)33-6(21,22)4(16,17)18/h(H,29,30,31)
InChIKey
QWRKHDUHWTVYAZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]pentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

581.92413 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.931406 171.8
[M+Na]+ 604.913348 173.7
[M-H]- 580.916854 180.9
[M+NH4]+ 599.957953 182.5
[M+K]+ 620.887288 183.9
[M+H-H2O]+ 564.921390 159.0
[M+HCOO]- 626.922331 191.6
[M+CH3COO]- 640.937981 241.5
[M+Na-2H]- 602.898796 170.7
[M]+ 581.92358142 173.4
[M]- 581.92467858 173.4
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.