CID 2773634

54110-96-2

Structural Information

Molecular Formula
C25H28O2P
SMILES
CCOC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H28O2P/c1-2-27-25(26)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3/q+1
InChIKey
MHIXMSZUXYOTFV-UHFFFAOYSA-N
Compound name
(5-ethoxy-5-oxopentyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

391.18268 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.189956 206.5
[M+Na]+ 414.171898 208.5
[M-H]- 390.175404 213.4
[M+NH4]+ 409.216503 216.5
[M+K]+ 430.145838 197.7
[M+H-H2O]+ 374.179940 196.3
[M+HCOO]- 436.180881 230.4
[M+CH3COO]- 450.196531 214.7
[M+Na-2H]- 412.157346 208.1
[M]+ 391.18213142 206.7
[M]- 391.18322858 206.7
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