CID 216429

3-(dichloromethylsilyl)propyl dodecanoate

Structural Information

Molecular Formula

C₁₆H₃₂Cl₂O₂Si

SMILES

CCCCCCCCCCCC(=O)OCCC[SiH2]C(Cl)Cl

InChI

InChI=1S/C16H32Cl2O2Si/c1-2-3-4-5-6-7-8-9-10-12-15(19)20-13-11-14-21-16(17)18/h16H,2-14,21H2,1H3

InChIKey

CBQIKILHDDOGNF-UHFFFAOYSA-N

Compound name

3-(dichloromethylsilyl)propyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.15488 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]+	355.162156	186.5
[M+Na]+	377.144098	190.3
[M-H]-	353.147604	184.2
[M+NH4]+	372.188703	201.6
[M+K]+	393.118038	184.4
[M+H-H2O]+	337.152140	181.6
[M+HCOO]-	399.153081	195.9
[M+CH3COO]-	413.168731	212.2
[M+Na-2H]-	375.129546	184.0
[M]+	354.15433142	195.5
[M]-	354.15542858	195.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.