CID 2775011

156241-41-7

Structural Information

Molecular Formula
C4HF9O3S
SMILES
C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4HF9O3S/c5-2(6,7)1(3(8,9)10)16-17(14,15)4(11,12)13/h1H
InChIKey
NRHQWNHARTXNOE-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

299.95026 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.95754 144.9
[M+Na]+ 322.93948 154.4
[M-H]- 298.94298 134.7
[M+NH4]+ 317.98408 159.6
[M+K]+ 338.91342 152.4
[M+H-H2O]+ 282.94752 133.7
[M+HCOO]- 344.94846 148.5
[M+CH3COO]- 358.96411 195.9
[M+Na-2H]- 320.92493 147.4
[M]+ 299.94971 135.2
[M]- 299.95081 135.2
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