CID 114467

2h-pyran, 2-[(5-chloropentyl)oxy]tetrahydro-

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: 74
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	146.9
[M+Na]+	229.09658	151.5
[M-H]-	205.10008	149.6
[M+NH4]+	224.14118	165.2
[M+K]+	245.07052	150.0
[M+H-H2O]+	189.10462	141.6
[M+HCOO]-	251.10556	161.7
[M+CH3COO]-	265.12121	183.3
[M+Na-2H]-	227.08203	152.0
[M]+	206.10681	148.2
[M]-	206.10791	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe