CID 89210

2h-pyran, 2-((8-chlorooctyl)oxy)tetrahydro-

Structural Information

Molecular Formula

C₁₃H₂₅ClO₂

SMILES

C1CCOC(C1)OCCCCCCCCCl

InChI

InChI=1S/C13H25ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2

InChIKey

KTZCUNASYOHWBD-UHFFFAOYSA-N

Compound name

2-(8-chlorooctoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 248.15431 Da
Monoisotopic Mass: 4.0
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]+	249.16159	160.8
[M+Na]+	271.14353	164.1
[M-H]-	247.14703	162.9
[M+NH4]+	266.18813	177.4
[M+K]+	287.11747	161.8
[M+H-H2O]+	231.15157	154.8
[M+HCOO]-	293.15251	174.6
[M+CH3COO]-	307.16816	192.3
[M+Na-2H]-	269.12898	164.3
[M]+	248.15376	163.2
[M]-	248.15486	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe