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

9
Patents

364.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15676 186.5
[M+Na]+ 387.13870 196.1
[M-H]- 363.14220 189.0
[M+NH4]+ 382.18330 201.7
[M+K]+ 403.11264 187.0
[M+H-H2O]+ 347.14674 172.0
[M+HCOO]- 409.14768 189.3
[M+CH3COO]- 423.16333 193.7
[M+Na-2H]- 385.12415 196.8
[M]+ 364.14893 184.9
[M]- 364.15003 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