CID 198508

2-(bromomethyl)benzyltriphenylphosphonium bromide

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 221.2
[M+Na]+ 468.06130 227.4
[M-H]- 444.06480 233.1
[M+NH4]+ 463.10590 232.8
[M+K]+ 484.03524 208.7
[M+H-H2O]+ 428.06934 217.6
[M+HCOO]- 490.07028 242.9
[M+CH3COO]- 504.08593 219.7
[M+Na-2H]- 466.04675 223.8
[M]+ 445.07153 236.4
[M]- 445.07263 236.4
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

patents stripe