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

113
Patents

391.18268 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18996 206.5
[M+Na]+ 414.17190 208.5
[M-H]- 390.17540 213.4
[M+NH4]+ 409.21650 216.5
[M+K]+ 430.14584 197.7
[M+H-H2O]+ 374.17994 196.3
[M+HCOO]- 436.18088 230.4
[M+CH3COO]- 450.19653 214.7
[M+Na-2H]- 412.15735 208.1
[M]+ 391.18213 206.7
[M]- 391.18323 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