CID 71758543

Oxetan-3-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H5F3O4S
SMILES
C1C(CO1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4H5F3O4S/c5-4(6,7)12(8,9)11-3-1-10-2-3/h3H,1-2H2
InChIKey
GKYAMYAOSBOCEW-UHFFFAOYSA-N
Compound name
oxetan-3-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

205.98607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99335 126.9
[M+Na]+ 228.97529 133.2
[M-H]- 204.97879 127.3
[M+NH4]+ 224.01989 138.1
[M+K]+ 244.94923 136.8
[M+H-H2O]+ 188.98333 114.3
[M+HCOO]- 250.98427 138.7
[M+CH3COO]- 264.99992 181.1
[M+Na-2H]- 226.96074 132.5
[M]+ 205.98552 135.1
[M]- 205.98662 135.1
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