PubChemLite - Nsc670162 (C44H46P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C44H46P2/c1(3-23-37-45(39-25-11-5-12-26-39,40-27-13-6-14-28-40)41-29-15-7-16-30-41)2-4-24-38-46(42-31-17-8-18-32-42,43-33-19-9-20-34-43)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2/q+2

InChIKey

VHZAYKXOYYQGPN-UHFFFAOYSA-N

Compound name

triphenyl(8-triphenylphosphaniumyloctyl)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]+	637.31478	281.7
[M+Na]+	659.29672	276.2
[M-H]-	635.30022	291.7
[M+NH4]+	654.34132	278.6
[M+K]+	675.27066	256.5
[M+H-H2O]+	619.30476	264.5
[M+HCOO]-	681.30570	301.5
[M+CH3COO]-	695.32135	254.3
[M+Na-2H]-	657.28217	278.3
[M]+	636.30695	274.1
[M]-	636.30805	274.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.31478

281.7

[M+Na]+

659.29672

276.2

[M-H]-

635.30022

291.7

[M+NH4]+

654.34132

278.6

[M+K]+

675.27066

256.5

[M+H-H2O]+

619.30476

264.5

[M+HCOO]-

681.30570

301.5

[M+CH3COO]-

695.32135

254.3

[M+Na-2H]-

657.28217

278.3

[M]+

636.30695

274.1

[M]-

636.30805

274.1

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

Nsc670162

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe