CID 3047249

63103-76-4

Structural Information

Molecular Formula

C₁₆H₁₉OP

SMILES

CC(C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H19OP/c1-14(2)13-18(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3

InChIKey

HTHUQWLKHLWODH-UHFFFAOYSA-N

Compound name

[2-methylpropyl(phenyl)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 258.11734 Da
Monoisotopic Mass: 3.8
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]+	259.12462	163.4
[M+Na]+	281.10656	168.9
[M-H]-	257.11006	168.4
[M+NH4]+	276.15116	180.3
[M+K]+	297.08050	165.3
[M+H-H2O]+	241.11460	153.7
[M+HCOO]-	303.11554	189.8
[M+CH3COO]-	317.13119	197.5
[M+Na-2H]-	279.09201	165.4
[M]+	258.11679	163.9
[M]-	258.11789	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe