CID 99790

Diethyl 1-phenylpentylphosphonate

Structural Information

Molecular Formula
C15H25O3P
SMILES
CCCCC(C1=CC=CC=C1)P(=O)(OCC)OCC
InChI
InChI=1S/C15H25O3P/c1-4-7-13-15(14-11-9-8-10-12-14)19(16,17-5-2)18-6-3/h8-12,15H,4-7,13H2,1-3H3
InChIKey
YXYYZPDGOACFLV-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylpentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.15414 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16142 168.9
[M+Na]+ 307.14336 178.8
[M+NH4]+ 302.18796 175.2
[M+K]+ 323.11730 172.9
[M-H]- 283.14686 169.0
[M+Na-2H]- 305.12881 173.2
[M]+ 284.15359 170.2
[M]- 284.15469 170.2
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

patents stripe