CID 87351

17882-06-3

Structural Information

Molecular Formula
C9H14O3SSi
SMILES
C[Si](C)(C)OS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H14O3SSi/c1-14(2,3)12-13(10,11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
JCUPGHJJFSUZRF-UHFFFAOYSA-N
Compound name
trimethylsilyl benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

230.04329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05057 147.1
[M+Na]+ 253.03251 155.2
[M-H]- 229.03601 151.0
[M+NH4]+ 248.07711 166.2
[M+K]+ 269.00645 153.2
[M+H-H2O]+ 213.04055 141.6
[M+HCOO]- 275.04149 163.9
[M+CH3COO]- 289.05714 183.5
[M+Na-2H]- 251.01796 152.9
[M]+ 230.04274 151.4
[M]- 230.04384 151.4
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