CID 3076500

Silane, ((4-(4-(3-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(=CC=C4)F
InChI
InChI=1S/C22H23FO3Si/c1-27(2,3)12-11-17-7-9-18(10-8-17)22-24-14-21(15-25-22,16-26-22)19-5-4-6-20(23)13-19/h4-10,13H,14-16H2,1-3H3
InChIKey
TUATZPZAPXWQNJ-UHFFFAOYSA-N
Compound name
2-[4-[4-(3-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 189.5
[M+Na]+ 405.12927 199.7
[M-H]- 381.13277 191.0
[M+NH4]+ 400.17387 204.2
[M+K]+ 421.10321 190.4
[M+H-H2O]+ 365.13731 174.2
[M+HCOO]- 427.13825 191.3
[M+CH3COO]- 441.15390 196.4
[M+Na-2H]- 403.11472 198.7
[M]+ 382.13950 187.3
[M]- 382.14060 187.3
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