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]+ 582.93141 171.8
[M+Na]+ 604.91335 173.7
[M-H]- 580.91685 180.9
[M+NH4]+ 599.95795 182.5
[M+K]+ 620.88729 183.9
[M+H-H2O]+ 564.92139 159.0
[M+HCOO]- 626.92233 191.6
[M+CH3COO]- 640.93798 241.5
[M+Na-2H]- 602.89880 170.7
[M]+ 581.92358 173.4
[M]- 581.92468 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.