CID 13187470

Benzyl [hydroxy-(4-phenylbutyl)phosphinyl] acetate

Structural Information

Molecular Formula
C19H23O4P
SMILES
C1=CC=C(C=C1)CCCCP(=O)(CC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)
InChIKey
GVDMCYBWLREELG-UHFFFAOYSA-N
Compound name
(2-oxo-2-phenylmethoxyethyl)-(4-phenylbutyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

346.1334 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14068 186.1
[M+Na]+ 369.12262 189.6
[M-H]- 345.12612 189.0
[M+NH4]+ 364.16722 198.2
[M+K]+ 385.09656 185.8
[M+H-H2O]+ 329.13066 175.3
[M+HCOO]- 391.13160 210.7
[M+CH3COO]- 405.14725 208.4
[M+Na-2H]- 367.10807 186.5
[M]+ 346.13285 189.0
[M]- 346.13395 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe