CID 100508

1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Structural Information

Molecular Formula
C12H16ClNO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H16ClNO3Si/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
IKFVTMCLFHXPQF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

285.0588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06608 114.8
[M+Na]+ 308.04802 114.8
[M-H]- 284.05152 114.8
[M+NH4]+ 303.09262 114.8
[M+K]+ 324.02196 114.8
[M+H-H2O]+ 268.05606 114.7
[M+HCOO]- 330.05700 114.7
[M+CH3COO]- 344.07265 114.7
[M+Na-2H]- 306.03347 114.6
[M]+ 285.05825 114.7
[M]- 285.05935 114.7
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