CID 3044030

M-chlorophenylsilatrane

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: 2
Patents: 285.0588 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.066076	114.8
[M+Na]+	308.048018	114.8
[M-H]-	284.051524	114.8
[M+NH4]+	303.092623	114.8
[M+K]+	324.021958	114.8
[M+H-H2O]+	268.056060	114.7
[M+HCOO]-	330.057001	114.7
[M+CH3COO]-	344.072651	114.7
[M+Na-2H]-	306.033466	114.6
[M]+	285.05825142	114.7
[M]-	285.05934858	114.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe