CID 6375939

Nsc687829

Structural Information

Molecular Formula
C15H21O4P
SMILES
CCOP(=O)(/C(=C\C1=CC=CC=C1)/CC(=O)C)OCC
InChI
InChI=1S/C15H21O4P/c1-4-18-20(17,19-5-2)15(11-13(3)16)12-14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3/b15-12-
InChIKey
ZRODUEDCUABUST-QINSGFPZSA-N
Compound name
(Z)-4-diethoxyphosphoryl-5-phenylpent-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.11774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12502 171.9
[M+Na]+ 319.10696 176.8
[M-H]- 295.11046 173.5
[M+NH4]+ 314.15156 187.4
[M+K]+ 335.08090 175.0
[M+H-H2O]+ 279.11500 162.9
[M+HCOO]- 341.11594 197.5
[M+CH3COO]- 355.13159 203.1
[M+Na-2H]- 317.09241 171.6
[M]+ 296.11719 177.2
[M]- 296.11829 177.2
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.