CID 198508

67219-44-7

Structural Information

Molecular Formula
C26H23BrP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2CBr)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H23BrP/c27-20-22-12-10-11-13-23(22)21-28(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-19H,20-21H2/q+1
InChIKey
ZJLCZOQXEJLEIB-UHFFFAOYSA-N
Compound name
[2-(bromomethyl)phenyl]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

445.07208 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07936 198.6
[M+Na]+ 468.06130 208.3
[M+NH4]+ 463.10590 205.7
[M+K]+ 484.03524 203.4
[M-H]- 444.06480 207.5
[M+Na-2H]- 466.04675 209.7
[M]+ 445.07153 202.3
[M]- 445.07263 202.3
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