CID 139594690

Mopflsa n=3

Structural Information

Molecular Formula
C7HF15O5S
SMILES
C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)S(=O)(=O)O)(F)F
InChI
InChI=1S/C7HF15O5S/c8-1(9,7(21,22)28(23,24)25)3(13,14)26-5(17,18)6(19,20)27-4(15,16)2(10,11)12/h(H,23,24,25)
InChIKey
DEMGIBZDDIWHRW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.9305 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.93778 171.9
[M+Na]+ 504.91972 171.6
[M+NH4]+ 499.96432 171.2
[M+K]+ 520.89366 171.3
[M-H]- 480.92322 169.0
[M+Na-2H]- 502.90517 171.0
[M]+ 481.92995 170.9
[M]- 481.93105 170.9
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.