CID 3384260

16315-64-3

Structural Information

Molecular Formula
C28H26O3P
SMILES
C1=CC=C(C=C1)[P+](CC(COC2=CC=CC=C2C=O)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H26O3P/c29-20-23-12-10-11-19-28(23)31-21-24(30)22-32(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-20,24,30H,21-22H2/q+1
InChIKey
HRQBPUWSEQUIQP-UHFFFAOYSA-N
Compound name
[3-(2-formylphenoxy)-2-hydroxypropyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.16196 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.16924 217.0
[M+Na]+ 464.15118 218.6
[M-H]- 440.15468 225.6
[M+NH4]+ 459.19578 223.4
[M+K]+ 480.12512 207.0
[M+H-H2O]+ 424.15922 205.4
[M+HCOO]- 486.16016 239.2
[M+CH3COO]- 500.17581 221.0
[M+Na-2H]- 462.13663 218.2
[M]+ 441.16141 214.9
[M]- 441.16251 214.9
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

No patent data available for this compound.