CID 13410806

Cyclopropyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H5F3O3S
SMILES
C1CC1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4H5F3O3S/c5-4(6,7)11(8,9)10-3-1-2-3/h3H,1-2H2
InChIKey
HPINOIDASKKAQT-UHFFFAOYSA-N
Compound name
cyclopropyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

189.99115 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99843 148.3
[M+Na]+ 212.98037 154.8
[M+NH4]+ 208.02497 153.2
[M+K]+ 228.95431 151.9
[M-H]- 188.98387 148.8
[M+Na-2H]- 210.96582 151.1
[M]+ 189.99060 150.3
[M]- 189.99170 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe