PubChemLite - 1,10-decamethylenebis(triphenylphosphonium bromide) (C46H50P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[P+](CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H50P2/c1(3-5-25-39-47(41-27-13-7-14-28-41,42-29-15-8-16-30-42)43-31-17-9-18-32-43)2-4-6-26-40-48(44-33-19-10-20-34-44,45-35-21-11-22-36-45)46-37-23-12-24-38-46/h7-24,27-38H,1-6,25-26,39-40H2/q+2

InChIKey

UYGONIRTYNSCEQ-UHFFFAOYSA-N

Compound name

triphenyl(10-triphenylphosphaniumyldecyl)phosphanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	665.34603	290.1
[M+Na]+	687.32797	283.7
[M-H]-	663.33147	299.6
[M+NH4]+	682.37257	285.9
[M+K]+	703.30191	263.7
[M+H-H2O]+	647.33601	272.4
[M+HCOO]-	709.33695	309.2
[M+CH3COO]-	723.35260	259.5
[M+Na-2H]-	685.31342	285.7
[M]+	664.33820	283.0
[M]-	664.33930	283.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

665.34603

290.1

[M+Na]+

687.32797

283.7

[M-H]-

663.33147

299.6

[M+NH4]+

682.37257

285.9

[M+K]+

703.30191

263.7

[M+H-H2O]+

647.33601

272.4

[M+HCOO]-

709.33695

309.2

[M+CH3COO]-

723.35260

259.5

[M+Na-2H]-

685.31342

285.7

[M]+

664.33820

283.0

[M]-

664.33930

283.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,10-decamethylenebis(triphenylphosphonium bromide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe