PubChemLite - 139139-86-9 (C44H40P2)

Structural Information

Molecular Formula

SMILES

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H40P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32H,13-18,27-28H2

InChIKey

ANSOKCGDSQQISA-UHFFFAOYSA-N

Compound name

[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

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]+	631.26778	255.8
[M+Na]+	653.24972	251.3
[M-H]-	629.25322	266.4
[M+NH4]+	648.29432	254.7
[M+K]+	669.22366	242.0
[M+H-H2O]+	613.25776	232.8
[M+HCOO]-	675.25870	271.7
[M+CH3COO]-	689.27435	255.4
[M+Na-2H]-	651.23517	242.4
[M]+	630.25995	242.6
[M]-	630.26105	242.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

631.26778

255.8

[M+Na]+

653.24972

251.3

[M-H]-

629.25322

266.4

[M+NH4]+

648.29432

254.7

[M+K]+

669.22366

242.0

[M+H-H2O]+

613.25776

232.8

[M+HCOO]-

675.25870

271.7

[M+CH3COO]-

689.27435

255.4

[M+Na-2H]-

651.23517

242.4

[M]+

630.25995

242.6

[M]-

630.26105

242.6

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

139139-86-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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