CID 75406356

3-(trifluoromethoxy)propyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C5H6F6O4S
SMILES
C(COC(F)(F)F)COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C5H6F6O4S/c6-4(7,8)14-2-1-3-15-16(12,13)5(9,10)11/h1-3H2
InChIKey
ATRMBSWMSGIVLD-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)propyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.9891 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99638 146.1
[M+Na]+ 298.97832 154.9
[M-H]- 274.98182 138.9
[M+NH4]+ 294.02292 162.2
[M+K]+ 314.95226 153.3
[M+H-H2O]+ 258.98636 136.6
[M+HCOO]- 320.98730 155.2
[M+CH3COO]- 335.00295 191.1
[M+Na-2H]- 296.96377 149.8
[M]+ 275.98855 143.8
[M]- 275.98965 143.8
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