CID 37609

10-chlorodecanoic acid

Structural Information

Molecular Formula

C₁₀H₁₉ClO₂

SMILES

C(CCCCC(=O)O)CCCCCl

InChI

InChI=1S/C10H19ClO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)

InChIKey

FEXSVCTUDASSOQ-UHFFFAOYSA-N

Compound name

10-chlorodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 206.10736 Da
Monoisotopic Mass: 3.8
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]+	207.114636	148.0
[M+Na]+	229.096578	154.0
[M-H]-	205.100084	146.1
[M+NH4]+	224.141183	167.3
[M+K]+	245.070518	150.4
[M+H-H2O]+	189.104620	144.0
[M+HCOO]-	251.105561	164.2
[M+CH3COO]-	265.121211	184.3
[M+Na-2H]-	227.082026	150.8
[M]+	206.10681142	152.3
[M]-	206.10790858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe