CID 11023933

3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

328.04123 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04851 165.2
[M+Na]+ 351.03045 174.2
[M-H]- 327.03395 165.3
[M+NH4]+ 346.07505 180.5
[M+K]+ 367.00439 171.7
[M+H-H2O]+ 311.03849 157.1
[M+HCOO]- 373.03943 176.8
[M+CH3COO]- 387.05508 202.0
[M+Na-2H]- 349.01590 168.7
[M]+ 328.04068 168.1
[M]- 328.04178 168.1
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