CID 99409

Phosphine oxide, dihexylmethyl-

Structural Information

Molecular Formula

C₁₃H₂₉OP

SMILES

CCCCCCP(=O)(C)CCCCCC

InChI

InChI=1S/C13H29OP/c1-4-6-8-10-12-15(3,14)13-11-9-7-5-2/h4-13H2,1-3H3

InChIKey

SXSPHZYWRUCEOB-UHFFFAOYSA-N

Compound name

1-[hexyl(methyl)phosphoryl]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 232.1956 Da
Monoisotopic Mass: 4.0
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]+	233.20288	166.3
[M+Na]+	255.18482	171.0
[M-H]-	231.18832	164.3
[M+NH4]+	250.22942	185.3
[M+K]+	271.15876	168.9
[M+H-H2O]+	215.19286	158.8
[M+HCOO]-	277.19380	191.8
[M+CH3COO]-	291.20945	197.0
[M+Na-2H]-	253.17027	166.4
[M]+	232.19505	172.3
[M]-	232.19615	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe