CID 92276

Phosphine oxide, dihexyloctyl-

Structural Information

Molecular Formula

C₂₀H₄₃OP

SMILES

CCCCCCCCP(=O)(CCCCCC)CCCCCC

InChI

InChI=1S/C20H43OP/c1-4-7-10-13-14-17-20-22(21,18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3

InChIKey

XHRRUIJGMKIISX-UHFFFAOYSA-N

Compound name

1-dihexylphosphoryloctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 159
Patents: 330.30515 Da
Monoisotopic Mass: 7.5
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]+	331.31243	199.0
[M+Na]+	353.29437	200.9
[M-H]-	329.29787	195.7
[M+NH4]+	348.33897	214.1
[M+K]+	369.26831	196.9
[M+H-H2O]+	313.30241	190.1
[M+HCOO]-	375.30335	222.1
[M+CH3COO]-	389.31900	218.1
[M+Na-2H]-	351.27982	195.4
[M]+	330.30460	207.7
[M]-	330.30570	207.7

Literature stripe

literature stripe

Patent stripe

patents stripe