PubChemLite - 394248-45-4 (C46H48O2P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=CC=CC(=C2C3=C(C=CC=C3P(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)OC)OC)C6=CC(=CC(=C6)C)C)C

InChI

InChI=1S/C46H48O2P2/c1-29-17-30(2)22-37(21-29)49(38-23-31(3)18-32(4)24-38)43-15-11-13-41(47-9)45(43)46-42(48-10)14-12-16-44(46)50(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h11-28H,1-10H3

InChIKey

IMUHNRWTDUVXOU-UHFFFAOYSA-N

Compound name

[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-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]+	695.32018	283.9
[M+Na]+	717.30212	304.5
[M+NH4]+	712.34672	290.8
[M+K]+	733.27606	290.9
[M-H]-	693.30562	298.3
[M+Na-2H]-	715.28757	295.7
[M]+	694.31235	291.7
[M]-	694.31345	291.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

695.32018

283.9

[M+Na]+

717.30212

304.5

[M+NH4]+

712.34672

290.8

[M+K]+

733.27606

290.9

[M-H]-

693.30562

298.3

[M+Na-2H]-

715.28757

295.7

[M]+

694.31235

291.7

[M]-

694.31345

291.7

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

394248-45-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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