PubChemLite - Mls002702210 (C52H40O2P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C52H40O2P2/c53-51(39-55(41-23-7-1-8-24-41,42-25-9-2-10-26-42)43-27-11-3-12-28-43)49-37-21-19-35-47(49)48-36-20-22-38-50(48)52(54)40-56(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40H

InChIKey

HMLIJGSRQAHTFN-UHFFFAOYSA-N

Compound name

2-(triphenyl-lambda5-phosphanylidene)-1-[2-[2-[2-(triphenyl-lambda5-phosphanylidene)acetyl]phenyl]phenyl]ethanone

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]+	759.25765	281.6
[M+Na]+	781.23959	276.5
[M-H]-	757.24309	295.4
[M+NH4]+	776.28419	272.5
[M+K]+	797.21353	268.1
[M+H-H2O]+	741.24763	257.7
[M+HCOO]-	803.24857	299.1
[M+CH3COO]-	817.26422	279.5
[M+Na-2H]-	779.22504	271.9
[M]+	758.24982	270.4
[M]-	758.25092	270.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.25765

281.6

[M+Na]+

781.23959

276.5

[M-H]-

757.24309

295.4

[M+NH4]+

776.28419

272.5

[M+K]+

797.21353

268.1

[M+H-H2O]+

741.24763

257.7

[M+HCOO]-

803.24857

299.1

[M+CH3COO]-

817.26422

279.5

[M+Na-2H]-

779.22504

271.9

[M]+

758.24982

270.4

[M]-

758.25092

270.4

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

Mls002702210

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe