CID 420370

(1-bromo-1-phenylethyl)(triphenyl)phosphorane

Structural Information

Molecular Formula
C26H23BrP
SMILES
CC(C1=CC=CC=C1)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br
InChI
InChI=1S/C26H23BrP/c1-26(27,22-14-6-2-7-15-22)28(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1
InChIKey
OTJPDGOUGMCHLU-UHFFFAOYSA-N
Compound name
(1-bromo-1-phenylethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.07208 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07936 220.9
[M+Na]+ 468.06130 226.8
[M-H]- 444.06480 232.9
[M+NH4]+ 463.10590 232.4
[M+K]+ 484.03524 208.6
[M+H-H2O]+ 428.06934 217.8
[M+HCOO]- 490.07028 241.2
[M+CH3COO]- 504.08593 219.1
[M+Na-2H]- 466.04675 225.3
[M]+ 445.07153 235.4
[M]- 445.07263 235.4
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

No patent data available for this compound.