CID 6338085

Phosphine oxide, dioctyl-

Structural Information

Molecular Formula

C₁₆H₃₄OP

SMILES

CCCCCCCC[P+](=O)CCCCCCCC

InChI

InChI=1S/C16H34OP/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3/q+1

InChIKey

IZMIKXPYUFUBPG-UHFFFAOYSA-N

Compound name

dioctyl(oxo)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 774
Patents: 273.23474 Da
Monoisotopic Mass: 5.9
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]+	274.24202	180.6
[M+Na]+	296.22396	183.6
[M-H]-	272.22746	178.3
[M+NH4]+	291.26856	197.5
[M+K]+	312.19790	175.4
[M+H-H2O]+	256.23200	174.9
[M+HCOO]-	318.23294	205.4
[M+CH3COO]-	332.24859	199.8
[M+Na-2H]-	294.20941	179.5
[M]+	273.23419	186.3
[M]-	273.23529	186.3

Literature stripe

literature stripe

Patent stripe

patents stripe