CID 3085487

71501-08-1

Structural Information

Molecular Formula

C₁₆H₂₇P

SMILES

CCCCCP(CCCCC)C1=CC=CC=C1

InChI

InChI=1S/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3

InChIKey

QDZAKCWPRPKCBW-UHFFFAOYSA-N

Compound name

dipentyl(phenyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 250.18504 Da
Monoisotopic Mass: 5.1
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]+	251.19232	169.5
[M+Na]+	273.17426	173.1
[M-H]-	249.17776	170.4
[M+NH4]+	268.21886	187.2
[M+K]+	289.14820	169.7
[M+H-H2O]+	233.18230	160.2
[M+HCOO]-	295.18324	195.7
[M+CH3COO]-	309.19889	200.6
[M+Na-2H]-	271.15971	168.2
[M]+	250.18449	172.8
[M]-	250.18559	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe