CID 4602603

2-hydroxy-1,3-trimethylenebis(triphenylphosphonium bromide)

Structural Information

Molecular Formula
C39H36OP2
SMILES
C1=CC=C(C=C1)[P+](CC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C39H36OP2/c40-33(31-41(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)32-42(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,33,40H,31-32H2/q+2
InChIKey
CEHROXYXCOQFLU-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-triphenylphosphaniumylpropyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.2241 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.23138 259.6
[M+Na]+ 605.21332 255.4
[M-H]- 581.21682 269.8
[M+NH4]+ 600.25792 258.0
[M+K]+ 621.18726 237.3
[M+H-H2O]+ 565.22136 244.4
[M+HCOO]- 627.22230 279.4
[M+CH3COO]- 641.23795 241.3
[M+Na-2H]- 603.19877 258.6
[M]+ 582.22355 250.1
[M]- 582.22465 250.1
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.