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 114.6
[M+Na]+ 351.99749 114.6
[M-H]- 328.00099 114.6
[M+NH4]+ 347.04209 114.6
[M+K]+ 367.97143 114.6
[M+H-H2O]+ 312.00553 114.5
[M+HCOO]- 374.00647 114.6
[M+CH3COO]- 388.02212 114.5
[M+Na-2H]- 349.98294 114.4
[M]+ 329.00772 114.6
[M]- 329.00882 114.6
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.