CID 498069

P-(bromomethyl)benzyltriphenylphosphonium-

Structural Information

Molecular Formula
C26H22BrP
SMILES
C1=CC=C(C=C1)P(=CC2=CC=C(C=C2)CBr)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22BrP/c27-20-22-16-18-23(19-17-22)21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2
InChIKey
MJSLQFYVUMOCBB-UHFFFAOYSA-N
Compound name
[4-(bromomethyl)phenyl]methylidene-triphenyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.06424 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.07152 214.5
[M+Na]+ 467.05346 221.5
[M-H]- 443.05696 226.3
[M+NH4]+ 462.09806 226.5
[M+K]+ 483.02740 207.1
[M+H-H2O]+ 427.06150 208.7
[M+HCOO]- 489.06244 236.9
[M+CH3COO]- 503.07809 224.0
[M+Na-2H]- 465.03891 215.2
[M]+ 444.06369 229.7
[M]- 444.06479 229.7
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.