CID 6379708

54314-85-1

Structural Information

Molecular Formula
C28H28OP
SMILES
C1=CC=C(C=C1)COCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28OP/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21H,13,22-24H2/q+1
InChIKey
DHCHUVTYDKANGV-UHFFFAOYSA-N
Compound name
triphenyl(3-phenylmethoxypropyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

411.18777 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19505 204.6
[M+Na]+ 434.17699 223.7
[M+NH4]+ 429.22159 214.9
[M+K]+ 450.15093 212.0
[M-H]- 410.18049 216.0
[M+Na-2H]- 432.16244 220.0
[M]+ 411.18722 211.4
[M]- 411.18832 211.4
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