CID 92277

Phosphine oxide, hexyldioctyl-

Structural Information

Molecular Formula

C₂₂H₄₇OP

SMILES

CCCCCCCCP(=O)(CCCCCC)CCCCCCCC

InChI

InChI=1S/C22H47OP/c1-4-7-10-13-15-18-21-24(23,20-17-12-9-6-3)22-19-16-14-11-8-5-2/h4-22H2,1-3H3

InChIKey

MKEFGIKZZDCMQC-UHFFFAOYSA-N

Compound name

1-[hexyl(octyl)phosphoryl]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 176
Patents: 358.33646 Da
Monoisotopic Mass: 8.5
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]+	359.34374	208.2
[M+Na]+	381.32568	209.2
[M-H]-	357.32918	204.5
[M+NH4]+	376.37028	222.1
[M+K]+	397.29962	204.7
[M+H-H2O]+	341.33372	198.9
[M+HCOO]-	403.33466	230.6
[M+CH3COO]-	417.35031	224.1
[M+Na-2H]-	379.31113	203.5
[M]+	358.33591	217.7
[M]-	358.33701	217.7

Literature stripe

literature stripe

Patent stripe

patents stripe