CID 66982

Decanoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₉ClO

SMILES

CCCCCCCCCC(=O)Cl

InChI

InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3

InChIKey

IPIVAXLHTVNRBS-UHFFFAOYSA-N

Compound name

decanoyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 6021
Patents: 190.11244 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]+	191.11972	144.7
[M+Na]+	213.10166	151.2
[M-H]-	189.10516	144.2
[M+NH4]+	208.14626	165.4
[M+K]+	229.07560	148.0
[M+H-H2O]+	173.10970	140.6
[M+HCOO]-	235.11064	162.1
[M+CH3COO]-	249.12629	185.1
[M+Na-2H]-	211.08711	148.0
[M]+	190.11189	149.4
[M]-	190.11299	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe