CID 15062470

3-(trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

patents stripe