CID 3384007

2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C10H13F3O3SSi
SMILES
C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3
InChIKey
XBHPFCIWRHJDCP-UHFFFAOYSA-N
Compound name
(2-trimethylsilylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

516
Patents

298.03067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03795 158.1
[M+Na]+ 321.01989 167.0
[M-H]- 297.02339 158.2
[M+NH4]+ 316.06449 174.5
[M+K]+ 336.99383 164.1
[M+H-H2O]+ 281.02793 150.2
[M+HCOO]- 343.02887 169.9
[M+CH3COO]- 357.04452 195.7
[M+Na-2H]- 319.00534 162.3
[M]+ 298.03012 158.9
[M]- 298.03122 158.9
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