CID 494095

1-(4-methoxyphenyl)-2-(triphenylphosphoranyl)ethanone

Structural Information

Molecular Formula
C27H24O2P
SMILES
COC1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24O2P/c1-29-23-19-17-22(18-20-23)27(28)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3/q+1
InChIKey
WIIVDSFRQCXNIU-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.1514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15868 209.8
[M+Na]+ 434.14062 212.5
[M-H]- 410.14412 219.9
[M+NH4]+ 429.18522 218.2
[M+K]+ 450.11456 201.1
[M+H-H2O]+ 394.14866 198.2
[M+HCOO]- 456.14960 233.6
[M+CH3COO]- 470.16525 218.6
[M+Na-2H]- 432.12607 211.6
[M]+ 411.15085 207.8
[M]- 411.15195 207.8
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