CID 12182644

4-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C11H15F3O4SSi
SMILES
COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChI
InChI=1S/C11H15F3O4SSi/c1-17-8-5-6-9(10(7-8)20(2,3)4)18-19(15,16)11(12,13)14/h5-7H,1-4H3
InChIKey
IPZYLSPWZUDOHB-UHFFFAOYSA-N
Compound name
(4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

328.04123 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04851 176.7
[M+Na]+ 351.03045 183.5
[M+NH4]+ 346.07505 180.0
[M+K]+ 367.00439 178.6
[M-H]- 327.03395 171.1
[M+Na-2H]- 349.01590 177.8
[M]+ 328.04068 176.3
[M]- 328.04178 176.3
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