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: 478
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	190.6
[M+Na]+	353.25817	192.9
[M-H]-	329.26167	188.2
[M+NH4]+	348.30277	205.6
[M+K]+	369.23211	187.0
[M+H-H2O]+	313.26621	184.4
[M+HCOO]-	375.26715	204.7
[M+CH3COO]-	389.28280	214.9
[M+Na-2H]-	351.24362	188.4
[M]+	330.26840	199.1
[M]-	330.26950	199.1

Literature stripe

literature stripe

Patent stripe

patents stripe