CID 3065697

Silane, ((4-(4-phenyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-

Structural Information

Molecular Formula
C22H24O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=CC=C4
InChI
InChI=1S/C22H24O3Si/c1-26(2,3)14-13-18-9-11-20(12-10-18)22-23-15-21(16-24-22,17-25-22)19-7-5-4-6-8-19/h4-12H,15-17H2,1-3H3
InChIKey
JSNBTMHWILMVDE-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-(4-phenyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

364.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.156756 186.5
[M+Na]+ 387.138698 196.1
[M-H]- 363.142204 189.0
[M+NH4]+ 382.183303 201.7
[M+K]+ 403.112638 187.0
[M+H-H2O]+ 347.146740 172.0
[M+HCOO]- 409.147681 189.3
[M+CH3COO]- 423.163331 193.7
[M+Na-2H]- 385.124146 196.8
[M]+ 364.14893142 184.9
[M]- 364.15002858 184.9
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

patents stripe