CID 139596091

4-(perfluoromethoxy)perfluorobutane sulfonic acid

Structural Information

Molecular Formula
C5HF11O4S
SMILES
C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(OC(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5HF11O4S/c6-1(7,3(10,11)20-5(14,15)16)2(8,9)4(12,13)21(17,18)19/h(H,17,18,19)
InChIKey
MPAJVPJYAATCNW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethoxy)butane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.94928 189.0
[M+Na]+ 388.93122 188.5
[M+NH4]+ 383.97582 187.5
[M+K]+ 404.90516 186.7
[M-H]- 364.93472 181.9
[M+Na-2H]- 386.91667 185.6
[M]+ 365.94145 186.7
[M]- 365.94255 186.7
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.