CID 62896

1,2,3-tris(chloromethoxy)propane

Structural Information

Molecular Formula

C₆H₁₁Cl₃O₃

SMILES

C(C(COCCl)OCCl)OCCl

InChI

InChI=1S/C6H11Cl3O3/c7-3-10-1-6(12-5-9)2-11-4-8/h6H,1-5H2

InChIKey

SWXSJBPKOPJPJL-UHFFFAOYSA-N

Compound name

1,2,3-tris(chloromethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 235.97737 Da
Monoisotopic Mass: 1.9
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]+	236.98465	142.2
[M+Na]+	258.96659	150.2
[M-H]-	234.97009	140.8
[M+NH4]+	254.01119	161.2
[M+K]+	274.94053	146.8
[M+H-H2O]+	218.97463	140.0
[M+HCOO]-	280.97557	150.9
[M+CH3COO]-	294.99122	188.1
[M+Na-2H]-	256.95204	146.1
[M]+	235.97682	149.4
[M]-	235.97792	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe