CID 87554

Trimethylsilyl bromoacetate

Structural Information

Molecular Formula

C₅H₁₁BrO₂Si

SMILES

C[Si](C)(C)OC(=O)CBr

InChI

InChI=1S/C5H11BrO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3

InChIKey

ZCHHFMWUDHXPFN-UHFFFAOYSA-N

Compound name

trimethylsilyl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 72
Patents: 209.97118 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]+	210.97846	136.6
[M+Na]+	232.96040	147.8
[M-H]-	208.96390	139.9
[M+NH4]+	228.00500	159.7
[M+K]+	248.93434	138.7
[M+H-H2O]+	192.96844	137.7
[M+HCOO]-	254.96938	156.0
[M+CH3COO]-	268.98503	181.5
[M+Na-2H]-	230.94585	143.9
[M]+	209.97063	157.0
[M]-	209.97173	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe