CID 197041

(cyanomethyl)triphenylphosphonium chloride

Structural Information

Molecular Formula

C₂₀H₁₇NP

SMILES

C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,17H2/q+1

InChIKey

QXTXVPBQJUGOFA-UHFFFAOYSA-N

Compound name

cyanomethyl(triphenyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 733
Patents: 302.10986 Da
Monoisotopic Mass: 4.4
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]+	303.11714	182.1
[M+Na]+	325.09908	190.0
[M-H]-	301.10258	187.8
[M+NH4]+	320.14368	194.5
[M+K]+	341.07302	176.4
[M+H-H2O]+	285.10712	167.2
[M+HCOO]-	347.10806	204.1
[M+CH3COO]-	361.12371	208.6
[M+Na-2H]-	323.08453	186.3
[M]+	302.10931	174.5
[M]-	302.11041	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe