CID 12182646

2-methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C11H15F3O3SSi
SMILES
CC1=C(C(=CC=C1)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H15F3O3SSi/c1-8-6-5-7-9(19(2,3)4)10(8)17-18(15,16)11(12,13)14/h5-7H,1-4H3
InChIKey
ZCWWZFXNICWDIB-UHFFFAOYSA-N
Compound name
(2-methyl-6-trimethylsilylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.04633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05361 161.6
[M+Na]+ 335.03555 170.9
[M-H]- 311.03905 161.9
[M+NH4]+ 330.08015 177.8
[M+K]+ 351.00949 167.8
[M+H-H2O]+ 295.04359 153.7
[M+HCOO]- 357.04453 173.0
[M+CH3COO]- 371.06018 199.9
[M+Na-2H]- 333.02100 164.8
[M]+ 312.04578 163.1
[M]- 312.04688 163.1
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