CID 6379708

(3-benzyloxypropyl)triphenylphosphonium bromide

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 212.8
[M+Na]+ 434.17699 214.4
[M-H]- 410.18049 222.0
[M+NH4]+ 429.22159 221.1
[M+K]+ 450.15093 202.0
[M+H-H2O]+ 394.18503 200.9
[M+HCOO]- 456.18597 236.8
[M+CH3COO]- 470.20162 218.8
[M+Na-2H]- 432.16244 215.4
[M]+ 411.18722 210.6
[M]- 411.18832 210.6
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