CID 2724859

[(4-bromophenyl)methyl]triphenylphosphanium bromide

Structural Information

Molecular Formula
C25H21BrP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21BrP/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKey
CYAJAFYCUTYSFY-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

431.05643 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06371 216.5
[M+Na]+ 454.04565 223.2
[M-H]- 430.04915 228.7
[M+NH4]+ 449.09025 228.7
[M+K]+ 470.01959 204.7
[M+H-H2O]+ 414.05369 213.2
[M+HCOO]- 476.05463 238.6
[M+CH3COO]- 490.07028 217.0
[M+Na-2H]- 452.03110 219.7
[M]+ 431.05588 231.5
[M]- 431.05698 231.5
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