CID 3070675

86806-91-9

Structural Information

Molecular Formula
C12H16BrNO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H16BrNO3Si/c13-11-1-3-12(4-2-11)18-15-8-5-14(6-9-16-18)7-10-17-18/h1-4H,5-10H2
InChIKey
MPTSAWPOTLZOST-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.00827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01555 169.9
[M+Na]+ 351.99749 169.9
[M+NH4]+ 347.04209 169.9
[M+K]+ 367.97143 169.9
[M-H]- 328.00099 169.9
[M+Na-2H]- 349.98294 169.9
[M]+ 329.00772 169.9
[M]- 329.00882 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.