CID 4079262

33304-36-8

Structural Information

Molecular Formula
C28H26O2P
SMILES
CCOC(=O)C(C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H26O2P/c1-2-30-28(29)27(23-15-7-3-8-16-23)31(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,2H2,1H3/q+1
InChIKey
AVCQGKKIISOHIY-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxo-1-phenylethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

425.16705 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17433 213.9
[M+Na]+ 448.15627 215.0
[M-H]- 424.15977 223.4
[M+NH4]+ 443.20087 221.4
[M+K]+ 464.13021 203.9
[M+H-H2O]+ 408.16431 202.3
[M+HCOO]- 470.16525 236.4
[M+CH3COO]- 484.18090 220.4
[M+Na-2H]- 446.14172 214.7
[M]+ 425.16650 211.1
[M]- 425.16760 211.1
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