CID 5323878

1,3-dichloro-2-(methoxymethoxy)propane

Structural Information

Molecular Formula

C₅H₁₀Cl₂O₂

SMILES

COCOC(CCl)CCl

InChI

InChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3

InChIKey

GEGJQMIXBNYSQG-UHFFFAOYSA-N

Compound name

1,3-dichloro-2-(methoxymethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 172.00578 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]+	173.013056	130.3
[M+Na]+	194.994998	138.9
[M-H]-	170.998504	130.1
[M+NH4]+	190.039603	152.0
[M+K]+	210.968938	136.4
[M+H-H2O]+	155.003040	127.8
[M+HCOO]-	217.003981	144.4
[M+CH3COO]-	231.019631	177.8
[M+Na-2H]-	192.980446	135.7
[M]+	172.00523142	136.0
[M]-	172.00632858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe