CID 3077366

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

Structural Information

Molecular Formula
C24H28O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C4=CC=CC=C4
InChI
InChI=1S/C24H28O3Si/c1-4-15-23-17-25-24(26-18-23,27-19-23)21-12-10-20(11-13-21)14-16-28(2,3)22-8-6-5-7-9-22/h5-13H,4,15,17-19H2,1-3H3
InChIKey
GRCGVXKXMDESKL-UHFFFAOYSA-N
Compound name
dimethyl-phenyl-[2-[4-(4-propyl-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

0
Patents

392.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18808 194.5
[M+Na]+ 415.17002 203.2
[M-H]- 391.17352 196.5
[M+NH4]+ 410.21462 208.5
[M+K]+ 431.14396 193.7
[M+H-H2O]+ 375.17806 179.5
[M+HCOO]- 437.17900 196.6
[M+CH3COO]- 451.19465 200.8
[M+Na-2H]- 413.15547 203.7
[M]+ 392.18025 193.3
[M]- 392.18135 193.3
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.