CID 6327897

Phenyl hydrogen phosphonate

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5O3P/c7-10(8)9-6-4-2-1-3-5-6/h1-5H/p+1

InChIKey

IDVRZFQYOSGBAF-UHFFFAOYSA-O

Compound name

hydroxy-oxo-phenoxyphosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1482
Patents: 157.00546 Da
Monoisotopic Mass: 1.2
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]+	158.01274	127.0
[M+Na]+	179.99468	140.7
[M+NH4]+	175.03928	136.0
[M+K]+	195.96862	136.5
[M-H]-	155.99818	129.5
[M+Na-2H]-	177.98013	134.4
[M]+	157.00491	129.8
[M]-	157.00601	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe