PubChemLite - Nsc634855 (C58H60P6)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(CCP(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)CCP(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C58H60P6/c1-9-25-51(26-10-1)61(52-27-11-2-12-28-52)47-43-59(44-48-62(53-29-13-3-14-30-53)54-31-15-4-16-32-54)41-42-60(45-49-63(55-33-17-5-18-34-55)56-35-19-6-20-36-56)46-50-64(57-37-21-7-22-38-57)58-39-23-8-24-40-58/h1-40H,41-50H2

InChIKey

VZGYLXQDHXIRNM-UHFFFAOYSA-N

Compound name

2-[bis(2-diphenylphosphanylethyl)phosphanyl]ethyl-bis(2-diphenylphosphanylethyl)phosphane

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]+	943.31938	301.5
[M+Na]+	965.30132	285.4
[M-H]-	941.30482	305.9
[M+NH4]+	960.34592	286.6
[M+K]+	981.27526	279.8
[M+H-H2O]+	925.30936	269.8
[M+HCOO]-	987.31030	327.6
[M+CH3COO]-	1001.3260	309.0
[M+Na-2H]-	963.28677	274.4
[M]+	942.31155	287.7
[M]-	942.31265	287.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

943.31938

301.5

[M+Na]+

965.30132

285.4

[M-H]-

941.30482

305.9

[M+NH4]+

960.34592

286.6

[M+K]+

981.27526

279.8

[M+H-H2O]+

925.30936

269.8

[M+HCOO]-

987.31030

327.6

[M+CH3COO]-

1001.3260

309.0

[M+Na-2H]-

963.28677

274.4

[M]+

942.31155

287.7

[M]-

942.31265

287.7

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

Nsc634855

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe