PubChemLite - 1631149-46-6 (C32H24O4P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(CP2(=O)C3=CC=CC=C3C4=CC=CC=C4O2)P5(=O)C6=CC=CC=C6C7=CC=CC=C7O5

InChI

InChI=1S/C32H24O4P2/c33-37(30-20-10-6-16-26(30)24-14-4-8-18-28(24)35-37)22-32(23-12-2-1-3-13-23)38(34)31-21-11-7-17-27(31)25-15-5-9-19-29(25)36-38/h1-21,32H,22H2

InChIKey

FYBLUDBCAHYMHK-UHFFFAOYSA-N

Compound name

6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

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]+	535.12228	232.3
[M+Na]+	557.10422	237.8
[M-H]-	533.10772	242.0
[M+NH4]+	552.14882	240.6
[M+K]+	573.07816	234.3
[M+H-H2O]+	517.11226	210.6
[M+HCOO]-	579.11320	252.3
[M+CH3COO]-	593.12885	237.8
[M+Na-2H]-	555.08967	230.2
[M]+	534.11445	230.9
[M]-	534.11555	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.12228

232.3

[M+Na]+

557.10422

237.8

[M-H]-

533.10772

242.0

[M+NH4]+

552.14882

240.6

[M+K]+

573.07816

234.3

[M+H-H2O]+

517.11226

210.6

[M+HCOO]-

579.11320

252.3

[M+CH3COO]-

593.12885

237.8

[M+Na-2H]-

555.08967

230.2

[M]+

534.11445

230.9

[M]-

534.11555

230.9

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

1631149-46-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe