CID 16120028

4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C12H17F3O5SSi
SMILES
COC1=CC(=C(C=C1OC)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H17F3O5SSi/c1-18-8-6-10(20-21(16,17)12(13,14)15)11(22(3,4)5)7-9(8)19-2/h6-7H,1-5H3
InChIKey
DLUVZOFWZNLGTJ-UHFFFAOYSA-N
Compound name
(4,5-dimethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

358.05182 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05910 172.0
[M+Na]+ 381.04104 181.1
[M-H]- 357.04454 172.2
[M+NH4]+ 376.08564 186.3
[M+K]+ 397.01498 179.1
[M+H-H2O]+ 341.04908 163.7
[M+HCOO]- 403.05002 183.4
[M+CH3COO]- 417.06567 208.3
[M+Na-2H]- 379.02649 174.9
[M]+ 358.05127 177.1
[M]- 358.05237 177.1
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