CID 500024

50479-11-3

Structural Information

Molecular Formula
C24H26O2P
SMILES
CCOC(=O)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26O2P/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19-20H2,1H3/q+1
InChIKey
QDAPTNBPGQKGLW-UHFFFAOYSA-N
Compound name
(4-ethoxy-4-oxobutyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

377.16705 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17433 192.6
[M+Na]+ 400.15627 209.0
[M+NH4]+ 395.20087 201.7
[M+K]+ 416.13021 200.1
[M-H]- 376.15977 200.5
[M+Na-2H]- 398.14172 204.5
[M]+ 377.16650 197.8
[M]- 377.16760 197.8
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