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

56
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

patents stripe