CID 102364

Phenyltriethylphosphonium iodide

Structural Information

Molecular Formula

C₁₂H₂₀P

SMILES

CC[P+](CC)(CC)C1=CC=CC=C1

InChI

InChI=1S/C12H20P/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/q+1

InChIKey

XCJFEKOLGRPMKQ-UHFFFAOYSA-N

Compound name

triethyl(phenyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 229
Patents: 195.13026 Da
Monoisotopic Mass: 2.6
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]+	196.13754	151.0
[M+Na]+	218.11948	157.2
[M-H]-	194.12298	153.4
[M+NH4]+	213.16408	171.0
[M+K]+	234.09342	149.5
[M+H-H2O]+	178.12752	146.0
[M+HCOO]-	240.12846	177.8
[M+CH3COO]-	254.14411	181.5
[M+Na-2H]-	216.10493	156.6
[M]+	195.12971	151.9
[M]-	195.13081	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe