CID 66557825

4-(trimethylsilyl)pyridin-3-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C9H12F3NO3SSi
SMILES
C[Si](C)(C)C1=C(C=NC=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H12F3NO3SSi/c1-18(2,3)8-4-5-13-6-7(8)16-17(14,15)9(10,11)12/h4-6H,1-3H3
InChIKey
HJIBLRJECSPWKZ-UHFFFAOYSA-N
Compound name
(4-trimethylsilylpyridin-3-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.02594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03322 158.7
[M+Na]+ 322.01516 168.0
[M-H]- 298.01866 157.5
[M+NH4]+ 317.05976 173.7
[M+K]+ 337.98910 165.1
[M+H-H2O]+ 282.02320 150.1
[M+HCOO]- 344.02414 169.4
[M+CH3COO]- 358.03979 195.4
[M+Na-2H]- 320.00061 163.3
[M]+ 299.02539 159.5
[M]- 299.02649 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.