CID 170488

2-(4-chlorobutoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₉H₁₇ClO₂

SMILES

C1CCOC(C1)OCCCCCl

InChI

InChI=1S/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2

InChIKey

SZZINZURZKQZLG-UHFFFAOYSA-N

Compound name

2-(4-chlorobutoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 288
Patents: 192.0917 Da
Monoisotopic Mass: 2.2
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]+	193.098976	142.2
[M+Na]+	215.080918	147.2
[M-H]-	191.084424	145.1
[M+NH4]+	210.125523	161.1
[M+K]+	231.054858	146.0
[M+H-H2O]+	175.088960	137.1
[M+HCOO]-	237.089901	157.4
[M+CH3COO]-	251.105551	180.3
[M+Na-2H]-	213.066366	147.9
[M]+	192.09115142	143.2
[M]-	192.09224858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe