CID 2733153

15104-46-8

Structural Information

Molecular Formula

C₁₀H₁₆O₆P₂

SMILES

COP(=O)(C1=CC=CC=C1P(=O)(OC)OC)OC

InChI

InChI=1S/C10H16O6P2/c1-13-17(11,14-2)9-7-5-6-8-10(9)18(12,15-3)16-4/h5-8H,1-4H3

InChIKey

TUKTVDDATWNXSN-UHFFFAOYSA-N

Compound name

1,2-bis(dimethoxyphosphoryl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 294.0422 Da
Monoisotopic Mass: 0.1
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]+	295.04948	164.7
[M+Na]+	317.03142	172.1
[M-H]-	293.03492	166.3
[M+NH4]+	312.07602	181.1
[M+K]+	333.00536	173.0
[M+H-H2O]+	277.03946	154.2
[M+HCOO]-	339.04040	197.4
[M+CH3COO]-	353.05605	201.3
[M+Na-2H]-	315.01687	167.9
[M]+	294.04165	174.2
[M]-	294.04275	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe