CID 57445280

1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H4F6O3S
SMILES
CC(C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4H4F6O3S/c1-2(3(5,6)7)13-14(11,12)4(8,9)10/h2H,1H3
InChIKey
CCCKOEYCRHBDDH-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

245.97853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98581 168.5
[M+Na]+ 268.96775 170.7
[M+NH4]+ 264.01235 169.4
[M+K]+ 284.94169 167.5
[M-H]- 244.97125 158.8
[M+Na-2H]- 266.95320 165.7
[M]+ 245.97798 165.8
[M]- 245.97908 165.8
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