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 155.7
[M+Na]+ 239.11713 161.8
[M-H]- 215.12063 154.2
[M+NH4]+ 234.16173 175.2
[M+K]+ 255.09107 159.5
[M+H-H2O]+ 199.12517 148.6
[M+HCOO]- 261.12611 182.6
[M+CH3COO]- 275.14176 190.9
[M+Na-2H]- 237.10258 157.2
[M]+ 216.12736 161.1
[M]- 216.12846 161.1
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.