CID 512118

Phenyl dimethoxyphosphinecarboxylate oxide

Structural Information

Molecular Formula

C₉H₁₁O₅P

SMILES

COP(=O)(C(=O)OC1=CC=CC=C1)OC

InChI

InChI=1S/C9H11O5P/c1-12-15(11,13-2)9(10)14-8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

ZLTYWIDYZFPWLI-UHFFFAOYSA-N

Compound name

phenyl dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 230.03441 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]+	231.04169	147.3
[M+Na]+	253.02363	154.6
[M-H]-	229.02713	149.9
[M+NH4]+	248.06823	165.6
[M+K]+	268.99757	155.1
[M+H-H2O]+	213.03167	139.1
[M+HCOO]-	275.03261	176.0
[M+CH3COO]-	289.04826	187.2
[M+Na-2H]-	251.00908	151.6
[M]+	230.03386	153.3
[M]-	230.03496	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe