CID 519206

16001-93-7

Structural Information

Molecular Formula

C₅H₁₄O₆P₂

SMILES

COP(=O)(CP(=O)(OC)OC)OC

InChI

InChI=1S/C5H14O6P2/c1-8-12(6,9-2)5-13(7,10-3)11-4/h5H2,1-4H3

InChIKey

XAVFZUKFLWOSOS-UHFFFAOYSA-N

Compound name

bis(dimethoxyphosphoryl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 673
Patents: 232.02657 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]+	233.03385	149.9
[M+Na]+	255.01579	157.6
[M-H]-	231.01929	148.3
[M+NH4]+	250.06039	169.0
[M+K]+	270.98973	159.8
[M+H-H2O]+	215.02383	141.2
[M+HCOO]-	277.02477	182.8
[M+CH3COO]-	291.04042	189.6
[M+Na-2H]-	253.00124	154.1
[M]+	232.02602	160.3
[M]-	232.02712	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe