CID 70017

Diphenylphosphine

Structural Information

Molecular Formula

C₁₂H₁₁P

SMILES

C1=CC=C(C=C1)PC2=CC=CC=C2

InChI

InChI=1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

InChIKey

GPAYUJZHTULNBE-UHFFFAOYSA-N

Compound name

diphenylphosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 87
References: 52216
Patents: 186.05984 Da
Monoisotopic Mass: 3.0
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]+	187.06712	141.2
[M+Na]+	209.04906	148.1
[M-H]-	185.05256	146.5
[M+NH4]+	204.09366	161.0
[M+K]+	225.02300	144.6
[M+H-H2O]+	169.05710	132.0
[M+HCOO]-	231.05804	171.2
[M+CH3COO]-	245.07369	183.3
[M+Na-2H]-	207.03451	145.9
[M]+	186.05929	140.7
[M]-	186.06039	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe