PubChemLite - 1365531-89-0 (C48H52O4P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C

InChI

InChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3

InChIKey

IDNKFBDRZBLTFQ-UHFFFAOYSA-N

Compound name

[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-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]+	755.34138	296.6
[M+Na]+	777.32332	299.2
[M-H]-	753.32682	311.1
[M+NH4]+	772.36792	292.5
[M+K]+	793.29726	295.6
[M+H-H2O]+	737.33136	273.8
[M+HCOO]-	799.33230	318.6
[M+CH3COO]-	813.34795	301.4
[M+Na-2H]-	775.30877	275.5
[M]+	754.33355	303.3
[M]-	754.33465	303.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

755.34138

296.6

[M+Na]+

777.32332

299.2

[M-H]-

753.32682

311.1

[M+NH4]+

772.36792

292.5

[M+K]+

793.29726

295.6

[M+H-H2O]+

737.33136

273.8

[M+HCOO]-

799.33230

318.6

[M+CH3COO]-

813.34795

301.4

[M+Na-2H]-

775.30877

275.5

[M]+

754.33355

303.3

[M]-

754.33465

303.3

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

1365531-89-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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