PubChemLite - 221462-97-1 (C47H48OP2)

Structural Information

Molecular Formula

SMILES

CC1(C2=C(C(=CC(=C2)C(C)(C)C)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=C(C=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)C)C

InChI

InChI=1S/C47H48OP2/c1-45(2,3)33-29-39-43(41(31-33)49(35-21-13-9-14-22-35)36-23-15-10-16-24-36)48-44-40(47(39,7)8)30-34(46(4,5)6)32-42(44)50(37-25-17-11-18-26-37)38-27-19-12-20-28-38/h9-32H,1-8H3

InChIKey

KDKJDGIJQNFICS-UHFFFAOYSA-N

Compound name

(2,7-ditert-butyl-5-diphenylphosphanyl-9,9-dimethylxanthen-4-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]+	691.32533	285.9
[M+Na]+	713.30727	285.9
[M-H]-	689.31077	297.1
[M+NH4]+	708.35187	285.3
[M+K]+	729.28121	280.5
[M+H-H2O]+	673.31531	263.5
[M+HCOO]-	735.31625	300.6
[M+CH3COO]-	749.33190	286.4
[M+Na-2H]-	711.29272	274.9
[M]+	690.31750	282.7
[M]-	690.31860	282.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

691.32533

285.9

[M+Na]+

713.30727

285.9

[M-H]-

689.31077

297.1

[M+NH4]+

708.35187

285.3

[M+K]+

729.28121

280.5

[M+H-H2O]+

673.31531

263.5

[M+HCOO]-

735.31625

300.6

[M+CH3COO]-

749.33190

286.4

[M+Na-2H]-

711.29272

274.9

[M]+

690.31750

282.7

[M]-

690.31860

282.7

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

221462-97-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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