CID 3061532

Bis(hydroxymethyl)methylphenylphosphonium iodide

Structural Information

Molecular Formula

C₉H₁₄O₂P

SMILES

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

InChI

InChI=1S/C9H14O2P/c1-12(7-10,8-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/q+1

InChIKey

QQEZKKIUALMAJV-UHFFFAOYSA-N

Compound name

bis(hydroxymethyl)-methyl-phenylphosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.07314 Da
Monoisotopic Mass: 0.3
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]+	186.08042	138.1
[M+Na]+	208.06236	151.2
[M+NH4]+	203.10696	147.0
[M+K]+	224.03630	146.6
[M-H]-	184.06586	140.3
[M+Na-2H]-	206.04781	145.0
[M]+	185.07259	140.9
[M]-	185.07369	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe