PubChemLite - (r)-xyl-sdp (C49H50P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C49H50P2/c1-31-19-32(2)24-41(23-31)50(42-25-33(3)20-34(4)26-42)45-13-9-11-39-15-17-49(47(39)45)18-16-40-12-10-14-46(48(40)49)51(43-27-35(5)21-36(6)28-43)44-29-37(7)22-38(8)30-44/h9-14,19-30H,15-18H2,1-8H3

InChIKey

AZSBNBQMIMQOPG-UHFFFAOYSA-N

Compound name

[4'-bis(3,5-dimethylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-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]+	701.34603	283.0
[M+Na]+	723.32797	285.4
[M-H]-	699.33147	297.9
[M+NH4]+	718.37257	288.1
[M+K]+	739.30191	276.4
[M+H-H2O]+	683.33601	263.3
[M+HCOO]-	745.33695	302.2
[M+CH3COO]-	759.35260	285.3
[M+Na-2H]-	721.31342	260.2
[M]+	700.33820	280.4
[M]-	700.33930	280.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

701.34603

283.0

[M+Na]+

723.32797

285.4

[M-H]-

699.33147

297.9

[M+NH4]+

718.37257

288.1

[M+K]+

739.30191

276.4

[M+H-H2O]+

683.33601

263.3

[M+HCOO]-

745.33695

302.2

[M+CH3COO]-

759.35260

285.3

[M+Na-2H]-

721.31342

260.2

[M]+

700.33820

280.4

[M]-

700.33930

280.4

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

(r)-xyl-sdp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe