chempirical

Calcium bis(trifluoromethanesulfonate)

C2CaF6O6S2CAS 55120-75-7338.20 g/mol

Open in Covalent MOL file
O−SOOFFFO−SOOFFFCa2+
Alkyl halideSulfonic acid

Properties

Molecular formula
C2CaF6O6S2
Molar mass
338.20 g/mol
Exact mass
337.8666 Da
Melting point
350 °C
logP
0.01Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
55120-75-7
SMILES
[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Ca+2]
InChIKey
CFSYYJNGCPTQRE-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.Ca/c2-1(3,4)8(5,6)7;/h(H,5,6,7);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1)
  • Methanesulfonic acid, trifluoro-, calcium salt
  • Calcium trifluoromethanesulfonate
  • Calcium triflate
  • Calcium trifluoromethanesulfonate (1:2)
  • Calcium ditriflate

Work with Calcium bis(trifluoromethanesulfonate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lutetium(III) trifluoromethanesulfonate126857-69-071 % similar Indium(III) trifluoromethanesulfonate128008-30-071 % similar Erbium triflate139177-64-371 % similar Scandium(III) trifluoromethanesulfonate144026-79-971 % similar Barium bis(trifluoromethanesulfonate)2794-60-771 % similar Silver trifluoromethanesulfonate2923-28-671 % similar Potassium trifluoromethanesulfonate2926-27-471 % similar Lithium triflate33454-82-971 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook