CID 165996275

2,3,3-trifluorobutyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C5H6F6O3S
SMILES
CC(C(COS(=O)(=O)C(F)(F)F)F)(F)F
InChI
InChI=1S/C5H6F6O3S/c1-4(7,8)3(6)2-14-15(12,13)5(9,10)11/h3H,2H2,1H3
InChIKey
LGHBEZUACUCAPA-UHFFFAOYSA-N
Compound name
2,3,3-trifluorobutyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.99417 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00145 141.8
[M+Na]+ 282.98339 150.5
[M-H]- 258.98689 134.8
[M+NH4]+ 278.02799 158.6
[M+K]+ 298.95733 148.9
[M+H-H2O]+ 242.99143 132.7
[M+HCOO]- 304.99237 149.7
[M+CH3COO]- 319.00802 190.6
[M+Na-2H]- 280.96884 144.3
[M]+ 259.99362 137.6
[M]- 259.99472 137.6
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.