CID 98671

35843-75-5

Structural Information

Molecular Formula

C₂₅H₂₂NP

SMILES

CC1=CC(=CC=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22NP/c1-21-12-11-13-22(20-21)26-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,1H3

InChIKey

APAFUCDSCJBJKH-UHFFFAOYSA-N

Compound name

(3-methylphenyl)imino-triphenyl-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.149 Da
Monoisotopic Mass: 6.8
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]+	368.156276	192.2
[M+Na]+	390.138218	196.8
[M-H]-	366.141724	203.6
[M+NH4]+	385.182823	203.6
[M+K]+	406.112158	189.8
[M+H-H2O]+	350.146260	178.4
[M+HCOO]-	412.147201	220.5
[M+CH3COO]-	426.162851	201.8
[M+Na-2H]-	388.123666	194.8
[M]+	367.14845142	189.9
[M]-	367.14954858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.