CID 55303031

2-[(chloromethoxy)methyl]oxolane

Structural Information

Molecular Formula

C₆H₁₁ClO₂

SMILES

C1CC(OC1)COCCl

InChI

InChI=1S/C6H11ClO2/c7-5-8-4-6-2-1-3-9-6/h6H,1-5H2

InChIKey

XLFRYXYFCITFGX-UHFFFAOYSA-N

Compound name

2-(chloromethoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.04475 Da
Monoisotopic Mass: 1.2
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]+	151.052026	129.8
[M+Na]+	173.033968	137.0
[M-H]-	149.037474	133.3
[M+NH4]+	168.078573	152.1
[M+K]+	189.007908	136.3
[M+H-H2O]+	133.042010	125.5
[M+HCOO]-	195.042951	147.9
[M+CH3COO]-	209.058601	171.0
[M+Na-2H]-	171.019416	135.7
[M]+	150.04420142	131.5
[M]-	150.04529858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.