PubChemLite - 100165-88-6 (C48H40P2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

InChI

InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3

InChIKey

IOPQYDKQISFMJI-UHFFFAOYSA-N

Compound name

[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)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]+	679.26778	278.0
[M+Na]+	701.24972	301.4
[M+NH4]+	696.29432	287.5
[M+K]+	717.22366	284.5
[M-H]-	677.25322	294.5
[M+Na-2H]-	699.23517	292.6
[M]+	678.25995	287.0
[M]-	678.26105	287.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.26778

278.0

[M+Na]+

701.24972

301.4

[M+NH4]+

696.29432

287.5

[M+K]+

717.22366

284.5

[M-H]-

677.25322

294.5

[M+Na-2H]-

699.23517

292.6

[M]+

678.25995

287.0

[M]-

678.26105

287.0

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

100165-88-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe