CID 120312

Diallylphosphinic acid pentyl ester

Structural Information

Molecular Formula
C11H21O2P
SMILES
CCCCCOP(=O)(CC=C)CC=C
InChI
InChI=1S/C11H21O2P/c1-4-7-8-9-13-14(12,10-5-2)11-6-3/h5-6H,2-4,7-11H2,1H3
InChIKey
XHFZQNXWJAEGRL-UHFFFAOYSA-N
Compound name
1-bis(prop-2-enyl)phosphoryloxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12791 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13519 153.4
[M+Na]+ 239.11713 162.0
[M+NH4]+ 234.16173 159.2
[M+K]+ 255.09107 155.9
[M-H]- 215.12063 151.0
[M+Na-2H]- 237.10258 154.9
[M]+ 216.12736 153.6
[M]- 216.12846 153.6
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.