CID 203010

2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(p-chlorophenoxy)-

Structural Information

Molecular Formula
C12H16ClNO4Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H16ClNO4Si/c13-11-1-3-12(4-2-11)18-19-15-8-5-14(6-9-16-19)7-10-17-19/h1-4H,5-10H2
InChIKey
JARJVNNXANWDAQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-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

301.0537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06098 114.8
[M+Na]+ 324.04292 114.8
[M-H]- 300.04642 114.8
[M+NH4]+ 319.08752 114.8
[M+K]+ 340.01686 114.9
[M+H-H2O]+ 284.05096 114.7
[M+HCOO]- 346.05190 114.8
[M+CH3COO]- 360.06755 114.7
[M+Na-2H]- 322.02837 114.6
[M]+ 301.05315 114.8
[M]- 301.05425 114.8
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.