CID 11118213

61260-15-9

Structural Information

Molecular Formula

C₁₀H₁₁O₅P

SMILES

COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC

InChI

InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3

InChIKey

KEKUNQAVGWOYDW-UHFFFAOYSA-N

Compound name

3-dimethoxyphosphoryl-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 242.03441 Da
Monoisotopic Mass: 0.4
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]+	243.04169	147.9
[M+Na]+	265.02363	158.3
[M+NH4]+	260.06823	154.6
[M+K]+	280.99757	156.6
[M-H]-	241.02713	148.6
[M+Na-2H]-	263.00908	150.8
[M]+	242.03386	149.3
[M]-	242.03496	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe