CID 139598272

Dihopflsa c8

Structural Information

Molecular Formula
C8H3F15O4S
SMILES
C(C(F)F)(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H3F15O4S/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)27-7(20,21)8(22,23)28(24,25)26/h1-2H,(H,24,25,26)
InChIKey
ZUGYTJRCLYEXMN-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,6,6-undecafluorohexoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.95126 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.95854 171.1
[M+Na]+ 502.94048 170.9
[M+NH4]+ 497.98508 170.4
[M+K]+ 518.91442 170.6
[M-H]- 478.94398 168.2
[M+Na-2H]- 500.92593 170.2
[M]+ 479.95071 170.2
[M]- 479.95181 170.2
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.