CID 3057223

Phosphine oxide, butyldihexyl-

Structural Information

Molecular Formula

C₁₆H₃₅OP

SMILES

CCCCCCP(=O)(CCCC)CCCCCC

InChI

InChI=1S/C16H35OP/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3

InChIKey

DXZDCLHJYQTIHH-UHFFFAOYSA-N

Compound name

1-[butyl(hexyl)phosphoryl]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 274.24255 Da
Monoisotopic Mass: 5.3
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]+	275.24983	180.4
[M+Na]+	297.23177	183.9
[M-H]-	273.23527	177.9
[M+NH4]+	292.27637	197.8
[M+K]+	313.20571	181.0
[M+H-H2O]+	257.23981	172.4
[M+HCOO]-	319.24075	204.9
[M+CH3COO]-	333.25640	206.1
[M+Na-2H]-	295.21722	178.9
[M]+	274.24200	187.6
[M]-	274.24310	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe