CID 23235160

Reaction mass of potassium trifluoroacetate and potassium trifluoromethanesulphinate

Structural Information

Molecular Formula
C3F6O3S
SMILES
C(=O)(C(F)(F)F)OS(=O)C(F)(F)F
InChI
InChI=1S/C3F6O3S/c4-2(5,6)1(10)12-13(11)3(7,8)9
InChIKey
BRRRFSAKLRUWGQ-UHFFFAOYSA-N
Compound name
trifluoromethylsulfinyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

229.94724 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95452 131.9
[M+Na]+ 252.93646 141.0
[M-H]- 228.93996 125.1
[M+NH4]+ 247.98106 149.8
[M+K]+ 268.91040 139.9
[M+H-H2O]+ 212.94450 122.8
[M+HCOO]- 274.94544 140.9
[M+CH3COO]- 288.96109 183.6
[M+Na-2H]- 250.92191 133.3
[M]+ 229.94669 126.9
[M]- 229.94779 126.9
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.