CID 498973

3,4,5-trimethoxybenzyltriphenylphosphonium-

Structural Information

Molecular Formula
C28H27O3P
SMILES
COC1=CC(=CC(=C1OC)OC)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H27O3P/c1-29-26-19-22(20-27(30-2)28(26)31-3)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-21H,1-3H3
InChIKey
HQBUKKHXEGJNFG-UHFFFAOYSA-N
Compound name
triphenyl-[(3,4,5-trimethoxyphenyl)methylidene]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.16977 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17705 213.2
[M+Na]+ 465.15899 218.0
[M-H]- 441.16249 223.7
[M+NH4]+ 460.20359 221.5
[M+K]+ 481.13293 212.2
[M+H-H2O]+ 425.16703 198.7
[M+HCOO]- 487.16797 238.4
[M+CH3COO]- 501.18362 231.1
[M+Na-2H]- 463.14444 212.2
[M]+ 442.16922 215.4
[M]- 442.17032 215.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.