CID 67176

126-61-4

Structural Information

Molecular Formula

C₈H₁₈O₇P₂

SMILES

CCOP(=O)(OCC)OC(=C)P(=O)(OC)OC

InChI

InChI=1S/C8H18O7P2/c1-6-13-17(10,14-7-2)15-8(3)16(9,11-4)12-5/h3,6-7H2,1-2,4-5H3

InChIKey

FJJRBYAELMSSPD-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylethenyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.05276 Da
Monoisotopic Mass: 0.3
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]+	289.06004	163.5
[M+Na]+	311.04198	169.8
[M-H]-	287.04548	166.5
[M+NH4]+	306.08658	175.0
[M+K]+	327.01592	171.8
[M+H-H2O]+	271.05002	154.2
[M+HCOO]-	333.05096	189.6
[M+CH3COO]-	347.06661	200.4
[M+Na-2H]-	309.02743	165.6
[M]+	288.05221	168.5
[M]-	288.05331	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe