CID 11356703

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

Structural Information

Molecular Formula
C6H7F3O4S
SMILES
C1COCC=C1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O4S/c7-6(8,9)14(10,11)13-5-1-3-12-4-2-5/h1H,2-4H2
InChIKey
QXCAHEXKUMUTRF-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

232.00171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00899 151.5
[M+Na]+ 254.99093 158.0
[M+NH4]+ 250.03553 155.9
[M+K]+ 270.96487 153.6
[M-H]- 230.99443 147.5
[M+Na-2H]- 252.97638 152.7
[M]+ 232.00116 151.3
[M]- 232.00226 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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