CID 2773641

[3-(ethoxycarbonyl)-2-oxopropyl]triphenylphosphonium chloride

Structural Information

Molecular Formula
C24H24O3P
SMILES
CCOC(=O)CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H24O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17H,2,18-19H2,1H3/q+1
InChIKey
UPVYKRNVOTZLIY-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,4-dioxobutyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

391.1463 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15358 202.9
[M+Na]+ 414.13552 205.2
[M-H]- 390.13902 210.2
[M+NH4]+ 409.18012 212.7
[M+K]+ 430.10946 195.2
[M+H-H2O]+ 374.14356 193.0
[M+HCOO]- 436.14450 226.6
[M+CH3COO]- 450.16015 213.4
[M+Na-2H]- 412.12097 204.3
[M]+ 391.14575 202.9
[M]- 391.14685 202.9
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

No patent data available for this compound.