CID 5204081

(3-(3-methoxyphenyl)propyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C28H28OP
SMILES
COC1=CC=CC(=C1)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28OP/c1-29-25-15-11-13-24(23-25)14-12-22-30(26-16-5-2-6-17-26,27-18-7-3-8-19-27)28-20-9-4-10-21-28/h2-11,13,15-21,23H,12,14,22H2,1H3/q+1
InChIKey
VVCIWCBWICOTCL-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)propyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

411.18777 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19505 212.8
[M+Na]+ 434.17699 215.4
[M-H]- 410.18049 222.6
[M+NH4]+ 429.22159 221.6
[M+K]+ 450.15093 203.1
[M+H-H2O]+ 394.18503 201.1
[M+HCOO]- 456.18597 236.9
[M+CH3COO]- 470.20162 219.8
[M+Na-2H]- 432.16244 214.9
[M]+ 411.18722 211.1
[M]- 411.18832 211.1
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.