CID 45108266

89281-73-2

Structural Information

Molecular Formula

C₆H₁₀Cl₂O₃

SMILES

CC(=O)OCOC(CCl)CCl

InChI

InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3

InChIKey

HCPWSZPHLYSAAF-UHFFFAOYSA-N

Compound name

1,3-dichloropropan-2-yloxymethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.0007 Da
Monoisotopic Mass: 1.3
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]+	201.00798	135.9
[M+Na]+	222.98992	146.8
[M+NH4]+	218.03452	143.4
[M+K]+	238.96386	141.5
[M-H]-	198.99342	134.3
[M+Na-2H]-	220.97537	139.2
[M]+	200.00015	137.3
[M]-	200.00125	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe