CID 120330

690-49-3

Structural Information

Molecular Formula

C₄H₁₂O₇P₂

SMILES

COP(=O)(OC)OP(=O)(OC)OC

InChI

InChI=1S/C4H12O7P2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h1-4H3

InChIKey

AXDCOWAMLFDLEP-UHFFFAOYSA-N

Compound name

dimethoxyphosphoryl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2518
Patents: 234.00583 Da
Monoisotopic Mass: -1.0
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]+	235.01311	146.4
[M+Na]+	256.99505	154.3
[M-H]-	232.99855	144.9
[M+NH4]+	252.03965	165.3
[M+K]+	272.96899	157.4
[M+H-H2O]+	217.00309	137.7
[M+HCOO]-	279.00403	179.9
[M+CH3COO]-	293.01968	188.8
[M+Na-2H]-	254.98050	151.6
[M]+	234.00528	157.9
[M]-	234.00638	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe