CID 100726

1-(3-chlorophenoxy)silatrane

Structural Information

Molecular Formula
C12H16ClNO4Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H16ClNO4Si/c13-11-2-1-3-12(10-11)18-19-15-7-4-14(5-8-16-19)6-9-17-19/h1-3,10H,4-9H2
InChIKey
FWXYUKRQLHUCQP-UHFFFAOYSA-N
Compound name
1-(3-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 169.9
[M+Na]+ 324.04292 169.9
[M+NH4]+ 319.08752 169.9
[M+K]+ 340.01686 169.9
[M-H]- 300.04642 169.9
[M+Na-2H]- 322.02837 169.9
[M]+ 301.05315 169.9
[M]- 301.05425 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.