CID 79171

5290-24-4

Structural Information

Molecular Formula

C₆H₁₂Cl₂O₂Si

SMILES

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

InChI

InChI=1S/C6H12Cl2O2Si/c1-6(9)10-4-3-5-11(2,7)8/h3-5H2,1-2H3

InChIKey

CNWZDXMFPRCFFL-UHFFFAOYSA-N

Compound name

3-[dichloro(methyl)silyl]propyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 118
Patents: 213.99837 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]+	215.00565	140.5
[M+Na]+	236.98759	149.0
[M-H]-	212.99109	140.4
[M+NH4]+	232.03219	161.3
[M+K]+	252.96153	145.7
[M+H-H2O]+	196.99563	138.1
[M+HCOO]-	258.99657	152.6
[M+CH3COO]-	273.01222	182.5
[M+Na-2H]-	234.97304	145.3
[M]+	213.99782	145.7
[M]-	213.99892	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe