((1r,2r)-2-(bis(3,5-dimethylphenyl)phosphanylmethyl)cyclobutyl)methyl-bis(3,5-dimethylphenyl)phosphane (C38H46P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C[C@@H]2CC[C@H]2CP(C3=CC(=CC(=C3)C)C)C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)C

InChI

InChI=1S/C38H46P2/c1-25-11-26(2)16-35(15-25)39(36-17-27(3)12-28(4)18-36)23-33-9-10-34(33)24-40(37-19-29(5)13-30(6)20-37)38-21-31(7)14-32(8)22-38/h11-22,33-34H,9-10,23-24H2,1-8H3/t33-,34-/m0/s1

InChIKey

REZOVLQIMMUCQH-HEVIKAOCSA-N

Compound name

[(1R,2R)-2-[bis(3,5-dimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,5-dimethylphenyl)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]+	565.314776	254.1
[M+Na]+	587.296718	256.5
[M-H]-	563.300224	265.0
[M+NH4]+	582.341323	252.9
[M+K]+	603.270658	252.1
[M+H-H2O]+	547.304760	231.0
[M+HCOO]-	609.305701	276.8
[M+CH3COO]-	623.321351	268.4
[M+Na-2H]-	585.282166	235.7
[M]+	564.30695142	263.4
[M]-	564.30804858	263.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.314776

254.1

[M+Na]+

587.296718

256.5

[M-H]-

563.300224

265.0

[M+NH4]+

582.341323

252.9

[M+K]+

603.270658

252.1

[M+H-H2O]+

547.304760

231.0

[M+HCOO]-

609.305701

276.8

[M+CH3COO]-

623.321351

268.4

[M+Na-2H]-

585.282166

235.7

[M]+

564.30695142

263.4

[M]-

564.30804858

263.4

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

((1r,2r)-2-(bis(3,5-dimethylphenyl)phosphanylmethyl)cyclobutyl)methyl-bis(3,5-dimethylphenyl)phosphane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe