PubChemLite - 2088941-75-5 (C39H34P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC(=C4)C)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H34P2/c1-30-23-25-38(40(34-15-7-3-8-16-34)35-17-9-4-10-18-35)32(27-30)29-33-28-31(2)24-26-39(33)41(36-19-11-5-12-20-36)37-21-13-6-14-22-37/h3-28H,29H2,1-2H3

InChIKey

BJUUSJAOBPPSEC-UHFFFAOYSA-N

Compound name

[2-[(2-diphenylphosphanyl-5-methylphenyl)methyl]-4-methylphenyl]-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]+	565.22084	248.4
[M+Na]+	587.20278	248.5
[M-H]-	563.20628	260.6
[M+NH4]+	582.24738	249.8
[M+K]+	603.17672	239.6
[M+H-H2O]+	547.21082	227.8
[M+HCOO]-	609.21176	273.3
[M+CH3COO]-	623.22741	251.8
[M+Na-2H]-	585.18823	236.5
[M]+	564.21301	243.3
[M]-	564.21411	243.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.22084

248.4

[M+Na]+

587.20278

248.5

[M-H]-

563.20628

260.6

[M+NH4]+

582.24738

249.8

[M+K]+

603.17672

239.6

[M+H-H2O]+

547.21082

227.8

[M+HCOO]-

609.21176

273.3

[M+CH3COO]-

623.22741

251.8

[M+Na-2H]-

585.18823

236.5

[M]+

564.21301

243.3

[M]-

564.21411

243.3

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

2088941-75-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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