CID 99400

Phosphine oxide, butyldipentyl-

Structural Information

Molecular Formula

C₁₄H₃₁OP

SMILES

CCCCCP(=O)(CCCC)CCCCC

InChI

InChI=1S/C14H31OP/c1-4-7-10-13-16(15,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3

InChIKey

QQFXHNRRTWHRGQ-UHFFFAOYSA-N

Compound name

1-[butyl(pentyl)phosphoryl]pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.21126 Da
Monoisotopic Mass: 4.2
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]+	247.21854	171.0
[M+Na]+	269.20048	175.4
[M-H]-	245.20398	168.9
[M+NH4]+	264.24508	189.5
[M+K]+	285.17442	172.9
[M+H-H2O]+	229.20852	163.3
[M+HCOO]-	291.20946	196.2
[M+CH3COO]-	305.22511	200.1
[M+Na-2H]-	267.18593	170.6
[M]+	246.21071	177.5
[M]-	246.21181	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe