CID 109089

Butyl 3-(trichlorostannyl)propionate

Structural Information

Molecular Formula

C₇H₁₃Cl₃O₂Sn

SMILES

CCCCOC(=O)CC[Sn](Cl)(Cl)Cl

InChI

InChI=1S/C7H13O2.3ClH.Sn/c1-3-5-6-9-7(8)4-2;;;;/h2-6H2,1H3;3*1H;/q;;;;+3/p-3

InChIKey

KKIZJTLMVRCRAA-UHFFFAOYSA-K

Compound name

butyl 3-trichlorostannylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 353.90033 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]+	354.90761	169.1
[M+Na]+	376.88955	176.4
[M-H]-	352.89305	167.1
[M+NH4]+	371.93415	186.9
[M+K]+	392.86349	171.1
[M+H-H2O]+	336.89759	166.1
[M+HCOO]-	398.89853	174.5
[M+CH3COO]-	412.91418	194.6
[M+Na-2H]-	374.87500	170.4
[M]+	353.89978	174.6
[M]-	353.90088	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe