CID 139597355

Oxa-pfsas(n3)

Structural Information

Molecular Formula
C4HF9O4S
SMILES
C(C(OC(F)(F)F)(F)F)(C(F)(F)S(=O)(=O)O)(F)F
InChI
InChI=1S/C4HF9O4S/c5-1(6,3(9,10)18(14,15)16)2(7,8)17-4(11,12)13/h(H,14,15,16)
InChIKey
UQSKZXLVALTWRV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.9452 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95248 187.8
[M+Na]+ 338.93442 187.7
[M+NH4]+ 333.97902 186.5
[M+K]+ 354.90836 185.4
[M-H]- 314.93792 178.6
[M+Na-2H]- 336.91987 183.8
[M]+ 315.94465 184.9
[M]- 315.94575 184.9
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.