CID 162134

Dioctylisopentylphosphine oxide

Structural Information

Molecular Formula

C₂₁H₄₅OP

SMILES

CCCCCCCCP(=O)(CCCCCCCC)CCC(C)C

InChI

InChI=1S/C21H45OP/c1-5-7-9-11-13-15-18-23(22,20-17-21(3)4)19-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3

InChIKey

WFNJCSZBFYCVEJ-UHFFFAOYSA-N

Compound name

1-[3-methylbutyl(octyl)phosphoryl]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 344.3208 Da
Monoisotopic Mass: 7.9
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]+	345.32808	204.0
[M+Na]+	367.31002	205.2
[M-H]-	343.31352	200.6
[M+NH4]+	362.35462	218.4
[M+K]+	383.28396	201.4
[M+H-H2O]+	327.31806	195.1
[M+HCOO]-	389.31900	225.8
[M+CH3COO]-	403.33465	221.7
[M+Na-2H]-	365.29547	198.6
[M]+	344.32025	212.4
[M]-	344.32135	212.4

Literature stripe

literature stripe

Patent stripe

patents stripe