CID 5075769

P-tolyl [2-(trimethylsilyl)ethynyl] sulfone

Structural Information

Molecular Formula
C12H16O2SSi
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C#C[Si](C)(C)C
InChI
InChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3
InChIKey
MMUNNGUGQXEUBR-UHFFFAOYSA-N
Compound name
trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.06403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07131 164.8
[M+Na]+ 275.05325 175.5
[M-H]- 251.05675 168.0
[M+NH4]+ 270.09785 181.6
[M+K]+ 291.02719 171.3
[M+H-H2O]+ 235.06129 153.6
[M+HCOO]- 297.06223 175.4
[M+CH3COO]- 311.07788 196.0
[M+Na-2H]- 273.03870 166.7
[M]+ 252.06348 162.6
[M]- 252.06458 162.6
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