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

3
Annotation Hits: 2
References: 5691
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	143.2
[M+Na]+	213.10166	154.0
[M+NH4]+	208.14626	151.3
[M+K]+	229.07560	146.6
[M-H]-	189.10516	142.8
[M+Na-2H]-	211.08711	146.6
[M]+	190.11189	144.7
[M]-	190.11299	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe