CID 615236

Silanol, trimethyl-, 4-methylbenzenesulfonate

Structural Information

Molecular Formula
C10H16O3SSi
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[Si](C)(C)C
InChI
InChI=1S/C10H16O3SSi/c1-9-5-7-10(8-6-9)14(11,12)13-15(2,3)4/h5-8H,1-4H3
InChIKey
GDEWVMDXPUXBKU-UHFFFAOYSA-N
Compound name
trimethylsilyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

244.05894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06622 150.5
[M+Na]+ 267.04816 159.0
[M-H]- 243.05166 154.6
[M+NH4]+ 262.09276 169.4
[M+K]+ 283.02210 156.9
[M+H-H2O]+ 227.05620 145.1
[M+HCOO]- 289.05714 167.0
[M+CH3COO]- 303.07279 187.7
[M+Na-2H]- 265.03361 155.3
[M]+ 244.05839 155.6
[M]- 244.05949 155.6
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