CID 152392

77530-34-8

Structural Information

Molecular Formula

C₉H₁₁O₅P

SMILES

C1=CC=C(C=C1)COC(=O)CP(=O)(O)O

InChI

InChI=1S/C9H11O5P/c10-9(7-15(11,12)13)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)

InChIKey

UOUMHOPNKUNGAB-UHFFFAOYSA-N

Compound name

(2-oxo-2-phenylmethoxyethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 230.03441 Da
Monoisotopic Mass: -0.2
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]+	231.04169	149.5
[M+Na]+	253.02363	155.8
[M-H]-	229.02713	149.2
[M+NH4]+	248.06823	166.2
[M+K]+	268.99757	154.4
[M+H-H2O]+	213.03167	141.7
[M+HCOO]-	275.03261	175.0
[M+CH3COO]-	289.04826	182.1
[M+Na-2H]-	251.00908	152.6
[M]+	230.03386	151.5
[M]-	230.03496	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe