CID 9838942

Methyl 4-(trifluoromethanesulfonyloxy)-5,6-dihydro-2h-pyran-3-carboxylate

Structural Information

Molecular Formula
C8H9F3O6S
SMILES
COC(=O)C1=C(CCOC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H9F3O6S/c1-15-7(12)5-4-16-3-2-6(5)17-18(13,14)8(9,10)11/h2-4H2,1H3
InChIKey
OQONTJRHKVETCG-UHFFFAOYSA-N
Compound name
methyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

290.0072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01448 152.2
[M+Na]+ 312.99642 159.7
[M-H]- 288.99992 152.5
[M+NH4]+ 308.04102 166.6
[M+K]+ 328.97036 159.9
[M+H-H2O]+ 273.00446 144.4
[M+HCOO]- 335.00540 162.9
[M+CH3COO]- 349.02105 192.6
[M+Na-2H]- 310.98187 156.1
[M]+ 290.00665 153.3
[M]- 290.00775 153.3
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