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

53
Patents

205.98607 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.993346 126.9
[M+Na]+ 228.975288 133.2
[M-H]- 204.978794 127.3
[M+NH4]+ 224.019893 138.1
[M+K]+ 244.949228 136.8
[M+H-H2O]+ 188.983330 114.3
[M+HCOO]- 250.984271 138.7
[M+CH3COO]- 264.999921 181.1
[M+Na-2H]- 226.960736 132.5
[M]+ 205.98552142 135.1
[M]- 205.98661858 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