CID 370918

108683-61-0

Structural Information

Molecular Formula
C28H28O3P
SMILES
COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28O3P/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/h4-20H,21H2,1-3H3/q+1
InChIKey
QZIICHLCCKVZOF-UHFFFAOYSA-N
Compound name
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

443.1776 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18488 219.3
[M+Na]+ 466.16682 223.3
[M-H]- 442.17032 230.0
[M+NH4]+ 461.21142 227.2
[M+K]+ 482.14076 212.6
[M+H-H2O]+ 426.17486 207.2
[M+HCOO]- 488.17580 243.8
[M+CH3COO]- 502.19145 225.8
[M+Na-2H]- 464.15227 220.6
[M]+ 443.17705 221.1
[M]- 443.17815 221.1
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