CID 57375856

{(2-bromoethyl)benzyl}triphenylphosphonium bromide

Structural Information

Molecular Formula
C27H25BrP
SMILES
C1=CC=C(C=C1)C(CCBr)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H25BrP/c28-22-21-27(23-13-5-1-6-14-23)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2/q+1
InChIKey
PTLAKWJSIYCGKE-UHFFFAOYSA-N
Compound name
(3-bromo-1-phenylpropyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.08774 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.09502 225.6
[M+Na]+ 482.07696 230.1
[M-H]- 458.08046 237.0
[M+NH4]+ 477.12156 236.2
[M+K]+ 498.05090 211.7
[M+H-H2O]+ 442.08500 221.9
[M+HCOO]- 504.08594 246.0
[M+CH3COO]- 518.10159 222.0
[M+Na-2H]- 480.06241 227.2
[M]+ 459.08719 240.1
[M]- 459.08829 240.1
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.