CID 4116666

227936-62-1

Structural Information

Molecular Formula

C₁₁H₁₃ClSi

SMILES

C[Si](C)(C)C#CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H13ClSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,1-3H3

InChIKey

UXVJIDSXBAHIDV-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)ethynyl-trimethylsilane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 208.0475 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]+	209.05478	146.5
[M+Na]+	231.03672	157.9
[M-H]-	207.04022	148.9
[M+NH4]+	226.08132	165.3
[M+K]+	247.01066	151.6
[M+H-H2O]+	191.04476	136.2
[M+HCOO]-	253.04570	159.0
[M+CH3COO]-	267.06135	191.0
[M+Na-2H]-	229.02217	151.3
[M]+	208.04695	143.0
[M]-	208.04805	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe