CID 494157

Phenethyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C26H24P
SMILES
C1=CC=C(C=C1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1
InChIKey
KDHQQDIVMCGMBH-UHFFFAOYSA-N
Compound name
triphenyl(2-phenylethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

367.16156 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16884 199.8
[M+Na]+ 390.15078 202.7
[M-H]- 366.15428 209.5
[M+NH4]+ 385.19538 210.2
[M+K]+ 406.12472 189.9
[M+H-H2O]+ 350.15882 188.7
[M+HCOO]- 412.15976 224.5
[M+CH3COO]- 426.17541 211.2
[M+Na-2H]- 388.13623 203.5
[M]+ 367.16101 195.9
[M]- 367.16211 195.9
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