CID 245868

Propane, 1,3-dichloro-2,2-dimethoxy-

Structural Information

Molecular Formula

C₅H₁₀Cl₂O₂

SMILES

COC(CCl)(CCl)OC

InChI

InChI=1S/C5H10Cl2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3

InChIKey

DCCLFWPTDCYHBZ-UHFFFAOYSA-N

Compound name

1,3-dichloro-2,2-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.00578 Da
Monoisotopic Mass: 1.1
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]+	173.01306	131.0
[M+Na]+	194.99500	140.2
[M-H]-	170.99850	131.1
[M+NH4]+	190.03960	152.8
[M+K]+	210.96894	137.6
[M+H-H2O]+	155.00304	128.8
[M+HCOO]-	217.00398	144.4
[M+CH3COO]-	231.01963	177.3
[M+Na-2H]-	192.98045	138.1
[M]+	172.00523	136.8
[M]-	172.00633	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe