CID 3076501

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

Structural Information

Molecular Formula
C22H23FO3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FO3Si/c1-27(2,3)13-12-17-4-6-19(7-5-17)22-24-14-21(15-25-22,16-26-22)18-8-10-20(23)11-9-18/h4-11H,14-16H2,1-3H3
InChIKey
PUWWALUDNDSLAJ-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.14005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14733 194.7
[M+Na]+ 405.12927 207.4
[M+NH4]+ 400.17387 202.5
[M+K]+ 421.10321 192.7
[M-H]- 381.13277 190.8
[M+Na-2H]- 403.11472 194.0
[M]+ 382.13950 195.3
[M]- 382.14060 195.3
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

patents stripe