CID 45598121

6-(trifluoromethyl)pyridin-3-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C7H3F6NO3S
SMILES
C1=CC(=NC=C1OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F6NO3S/c8-6(9,10)5-2-1-4(3-14-5)17-18(15,16)7(11,12)13/h1-3H
InChIKey
YXTDRVFQMVNSGJ-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)pyridin-3-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9738 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98108 151.0
[M+Na]+ 317.96302 161.7
[M-H]- 293.96652 146.4
[M+NH4]+ 313.00762 165.3
[M+K]+ 333.93696 158.2
[M+H-H2O]+ 277.97106 140.2
[M+HCOO]- 339.97200 159.6
[M+CH3COO]- 353.98765 194.2
[M+Na-2H]- 315.94847 155.5
[M]+ 294.97325 146.9
[M]- 294.97435 146.9
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

No patent data available for this compound.