CID 329803

2009-84-9

Structural Information

Molecular Formula

C₁₁H₂₁ClO₂

SMILES

C1CCOC(C1)OCCCCCCCl

InChI

InChI=1S/C11H21ClO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1-10H2

InChIKey

XOLOZSPDGPUSFV-UHFFFAOYSA-N

Compound name

2-(6-chlorohexoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 116
Patents: 220.123 Da
Monoisotopic Mass: 3.0
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]+	221.130276	151.6
[M+Na]+	243.112218	155.7
[M-H]-	219.115724	154.0
[M+NH4]+	238.156823	169.3
[M+K]+	259.086158	153.9
[M+H-H2O]+	203.120260	146.0
[M+HCOO]-	265.121201	166.0
[M+CH3COO]-	279.136851	186.3
[M+Na-2H]-	241.097666	156.1
[M]+	220.12245142	153.3
[M]-	220.12354858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe