CID 20788543

61702-77-0

Structural Information

Molecular Formula

C₁₄H₂₉ClO₂

SMILES

CCCCCCCCCCOCCOCCCl

InChI

InChI=1S/C14H29ClO2/c1-2-3-4-5-6-7-8-9-11-16-13-14-17-12-10-15/h2-14H2,1H3

InChIKey

WIQVVWQSIOTXIC-UHFFFAOYSA-N

Compound name

1-[2-(2-chloroethoxy)ethoxy]decane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 264.1856 Da
Monoisotopic Mass: 5.1
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]+	265.19288	166.9
[M+Na]+	287.17482	171.6
[M-H]-	263.17832	165.5
[M+NH4]+	282.21942	184.7
[M+K]+	303.14876	168.0
[M+H-H2O]+	247.18286	161.5
[M+HCOO]-	309.18380	184.0
[M+CH3COO]-	323.19945	199.1
[M+Na-2H]-	285.16027	169.3
[M]+	264.18505	175.9
[M]-	264.18615	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.