PubChemLite - 325168-88-5 (C48H50P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C

InChI

InChI=1S/C48H50P2/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3

InChIKey

LYHOBZAADXPPNW-UHFFFAOYSA-N

Compound name

[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-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]+	689.34603	251.9
[M+Na]+	711.32797	268.6
[M+NH4]+	706.37257	259.6
[M+K]+	727.30191	254.5
[M-H]-	687.33147	257.4
[M+Na-2H]-	709.31342	251.4
[M]+	688.33820	255.9
[M]-	688.33930	255.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

689.34603

251.9

[M+Na]+

711.32797

268.6

[M+NH4]+

706.37257

259.6

[M+K]+

727.30191

254.5

[M-H]-

687.33147

257.4

[M+Na-2H]-

709.31342

251.4

[M]+

688.33820

255.9

[M]-

688.33930

255.9

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

325168-88-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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