CID 494052

2-(3-(triphenylphosphoranyl)propoxy)benzaldehyde

Structural Information

Molecular Formula
C28H26O2P
SMILES
C1=CC=C(C=C1)[P+](CCCOC2=CC=CC=C2C=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H26O2P/c29-23-24-13-10-11-20-28(24)30-21-12-22-31(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-11,13-20,23H,12,21-22H2/q+1
InChIKey
KDEGOEYTFUEZGW-UHFFFAOYSA-N
Compound name
3-(2-formylphenoxy)propyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16705 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17433 215.2
[M+Na]+ 448.15627 217.9
[M-H]- 424.15977 225.0
[M+NH4]+ 443.20087 223.2
[M+K]+ 464.13021 205.7
[M+H-H2O]+ 408.16431 203.2
[M+HCOO]- 470.16525 239.7
[M+CH3COO]- 484.18090 220.8
[M+Na-2H]- 446.14172 217.5
[M]+ 425.16650 214.1
[M]- 425.16760 214.1
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

No patent data available for this compound.