CID 114467

13129-60-7

Structural Information

Molecular Formula

C₁₀H₁₉ClO₂

SMILES

C1CCOC(C1)OCCCCCCl

InChI

InChI=1S/C10H19ClO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10H,1-9H2

InChIKey

WLHOOFDTKPBKIY-UHFFFAOYSA-N

Compound name

2-(5-chloropentoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 206.10736 Da
Monoisotopic Mass: 2.6
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]+	207.11464	145.1
[M+Na]+	229.09658	156.4
[M+NH4]+	224.14118	154.0
[M+K]+	245.07052	149.1
[M-H]-	205.10008	148.3
[M+Na-2H]-	227.08203	149.7
[M]+	206.10681	147.8
[M]-	206.10791	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe