CID 22625751

3,6-dihydro-2h-thiopyran-4-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C6H7F3O3S2
SMILES
C1CSCC=C1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O3S2/c7-6(8,9)14(10,11)12-5-1-3-13-4-2-5/h1H,2-4H2
InChIKey
ZMDCEXLCDOPKGH-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-thiopyran-4-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

247.97887 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98615 144.5
[M+Na]+ 270.96809 151.9
[M-H]- 246.97159 143.4
[M+NH4]+ 266.01269 161.7
[M+K]+ 286.94203 148.4
[M+H-H2O]+ 230.97613 136.6
[M+HCOO]- 292.97707 151.1
[M+CH3COO]- 306.99272 184.5
[M+Na-2H]- 268.95354 146.9
[M]+ 247.97832 141.8
[M]- 247.97942 141.8
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