CID 45108266

((1-3 dichlopropan-2-yl)oxy)methyl acetate

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	144.2
[M-H]-	198.99342	135.8
[M+NH4]+	218.03452	156.5
[M+K]+	238.96386	141.8
[M+H-H2O]+	182.99796	133.3
[M+HCOO]-	244.99890	149.3
[M+CH3COO]-	259.01455	181.9
[M+Na-2H]-	220.97537	139.7
[M]+	200.00015	142.2
[M]-	200.00125	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe