CID 9862365

Eicosanoyl chloride

Structural Information

Molecular Formula

C₂₀H₃₉ClO

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C20H39ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3

InChIKey

BXZBGYJQEFZICM-UHFFFAOYSA-N

Compound name

icosanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 465
Patents: 330.26895 Da
Monoisotopic Mass: 9.5
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]+	331.27623	187.8
[M+Na]+	353.25817	196.5
[M+NH4]+	348.30277	194.1
[M+K]+	369.23211	186.6
[M-H]-	329.26167	186.9
[M+Na-2H]-	351.24362	188.5
[M]+	330.26840	188.9
[M]-	330.26950	188.9

Literature stripe

literature stripe

Patent stripe

patents stripe