CID 3044030

M-chlorophenoxysilatrane

Structural Information

Molecular Formula
C12H16ClNO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H16ClNO3Si/c13-11-2-1-3-12(10-11)18-15-7-4-14(5-8-16-18)6-9-17-18/h1-3,10H,4-9H2
InChIKey
ZVTSTPWMPMJSEE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.0588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06608 169.9
[M+Na]+ 308.04802 169.9
[M+NH4]+ 303.09262 169.9
[M+K]+ 324.02196 169.9
[M-H]- 284.05152 169.9
[M+Na-2H]- 306.03347 169.9
[M]+ 285.05825 169.9
[M]- 285.05935 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

patents stripe