CID 5386719

Nsc617353

Structural Information

Molecular Formula
C20H26O3SSi
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC/C(=C\[Si](C)(C)C)/C2=CC=CC=C2
InChI
InChI=1S/C20H26O3SSi/c1-17-10-12-20(13-11-17)24(21,22)23-15-14-19(16-25(2,3)4)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3/b19-16+
InChIKey
CJQOKONQGSFPPB-KNTRCKAVSA-N
Compound name
[(E)-3-phenyl-4-trimethylsilylbut-3-enyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1372 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14448 188.4
[M+Na]+ 397.12642 194.0
[M-H]- 373.12992 194.4
[M+NH4]+ 392.17102 201.3
[M+K]+ 413.10036 189.0
[M+H-H2O]+ 357.13446 180.5
[M+HCOO]- 419.13540 202.3
[M+CH3COO]- 433.15105 212.5
[M+Na-2H]- 395.11187 189.9
[M]+ 374.13665 192.9
[M]- 374.13775 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.