PubChemLite - 1299463-56-1 (C42H31NO2P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C2C=C(C=C6)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H31NO2P2/c44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-39-40-29-27-38(31-42(40)43(41(39)30-37)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h1-31H

InChIKey

GOOJXIXLPNPOQI-UHFFFAOYSA-N

Compound name

2,7-bis(diphenylphosphoryl)-9-phenylcarbazole

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]+	644.19028	258.5
[M+Na]+	666.17222	260.2
[M-H]-	642.17572	271.8
[M+NH4]+	661.21682	258.1
[M+K]+	682.14616	252.3
[M+H-H2O]+	626.18026	237.1
[M+HCOO]-	688.18120	280.1
[M+CH3COO]-	702.19685	261.1
[M+Na-2H]-	664.15767	252.8
[M]+	643.18245	253.6
[M]-	643.18355	253.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

644.19028

258.5

[M+Na]+

666.17222

260.2

[M-H]-

642.17572

271.8

[M+NH4]+

661.21682

258.1

[M+K]+

682.14616

252.3

[M+H-H2O]+

626.18026

237.1

[M+HCOO]-

688.18120

280.1

[M+CH3COO]-

702.19685

261.1

[M+Na-2H]-

664.15767

252.8

[M]+

643.18245

253.6

[M]-

643.18355

253.6

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

1299463-56-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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