CID 573014

Diethyl allylphosphonate

Structural Information

Molecular Formula
C7H15O3P
SMILES
CCOP(=O)(CC=C)OCC
InChI
InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
InChIKey
YPJHXRAHMUKXAE-UHFFFAOYSA-N
Compound name
3-diethoxyphosphorylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

722
Patents

178.07588 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08316 141.1
[M+Na]+ 201.06510 148.6
[M-H]- 177.06860 140.3
[M+NH4]+ 196.10970 162.1
[M+K]+ 217.03904 148.4
[M+H-H2O]+ 161.07314 134.6
[M+HCOO]- 223.07408 169.3
[M+CH3COO]- 237.08973 181.6
[M+Na-2H]- 199.05055 144.9
[M]+ 178.07533 147.1
[M]- 178.07643 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.