CID 9794628

2h-perfluoropropylsulfonic acid

Structural Information

Molecular Formula
C3H2F6O3S
SMILES
C(C(F)(F)F)(C(F)(F)S(=O)(=O)O)F
InChI
InChI=1S/C3H2F6O3S/c4-1(2(5,6)7)3(8,9)13(10,11)12/h1H,(H,10,11,12)
InChIKey
DMOBTBZPQXBGRE-UHFFFAOYSA-N
Compound name
1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

440
Patents

231.96289 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97017 132.8
[M+Na]+ 254.95211 141.8
[M-H]- 230.95561 124.6
[M+NH4]+ 249.99671 149.8
[M+K]+ 270.92605 139.8
[M+H-H2O]+ 214.96015 124.2
[M+HCOO]- 276.96109 139.7
[M+CH3COO]- 290.97674 182.1
[M+Na-2H]- 252.93756 135.7
[M]+ 231.96234 125.9
[M]- 231.96344 125.9
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

patents stripe