CID 16744148

688359-84-4

Structural Information

Molecular Formula

C₇H₁₂BrCl₃O₂Si

SMILES

CC(C)(C(=O)OCCC[Si](Cl)(Cl)Cl)Br

InChI

InChI=1S/C7H12BrCl3O2Si/c1-7(2,8)6(12)13-4-3-5-14(9,10)11/h3-5H2,1-2H3

InChIKey

GEVOCWHKMYIZGM-UHFFFAOYSA-N

Compound name

3-trichlorosilylpropyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 339.88556 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]+	340.89284	164.2
[M+Na]+	362.87478	166.3
[M+NH4]+	357.91938	167.8
[M+K]+	378.84872	166.0
[M-H]-	338.87828	160.7
[M+Na-2H]-	360.86023	164.0
[M]+	339.88501	163.1
[M]-	339.88611	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe