CID 13357841

Di(p-tolyl)phosphine oxide

Structural Information

Molecular Formula

C₁₄H₁₄OP

SMILES

CC1=CC=C(C=C1)[P+](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H14OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/q+1

InChIKey

ZHIPXAFNKGZMSC-UHFFFAOYSA-N

Compound name

bis(4-methylphenyl)-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 447
Patents: 229.07823 Da
Monoisotopic Mass: 3.2
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]+	230.08551	153.9
[M+Na]+	252.06745	161.6
[M-H]-	228.07095	160.1
[M+NH4]+	247.11205	172.2
[M+K]+	268.04139	152.8
[M+H-H2O]+	212.07549	147.4
[M+HCOO]-	274.07643	182.4
[M+CH3COO]-	288.09208	186.5
[M+Na-2H]-	250.05290	157.3
[M]+	229.07768	153.9
[M]-	229.07878	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe