CID 13097

Triphenylphosphine oxide

Structural Information

Molecular Formula

C₁₈H₁₅OP

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey

FIQMHBFVRAXMOP-UHFFFAOYSA-N

Compound name

diphenylphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 167
References: 41659
Patents: 278.08606 Da
Monoisotopic Mass: 2.8
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]+	279.09334	166.1
[M+Na]+	301.07528	172.2
[M-H]-	277.07878	174.1
[M+NH4]+	296.11988	181.4
[M+K]+	317.04922	167.0
[M+H-H2O]+	261.08332	155.1
[M+HCOO]-	323.08426	193.9
[M+CH3COO]-	337.09991	198.8
[M+Na-2H]-	299.06073	170.4
[M]+	278.08551	164.8
[M]-	278.08661	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe