1647050-25-6 (C43H30NOP)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=CC=CC=C5C6=C4C=C(C=C6)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C92

InChI

InChI=1S/C43H30NOP/c45-46(32-18-6-2-7-19-32,33-20-8-3-9-21-33)34-28-29-36-35-22-10-11-23-37(35)43(40(36)30-34)38-24-12-14-26-41(38)44(31-16-4-1-5-17-31)42-27-15-13-25-39(42)43/h1-30H

InChIKey

DYTOHAUMSPVUJE-UHFFFAOYSA-N

Compound name

2'-diphenylphosphoryl-10-phenylspiro[acridine-9,9'-fluorene]

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]+	608.213776	253.0
[M+Na]+	630.195718	257.4
[M-H]-	606.199224	265.4
[M+NH4]+	625.240323	258.3
[M+K]+	646.169658	246.9
[M+H-H2O]+	590.203760	231.7
[M+HCOO]-	652.204701	267.3
[M+CH3COO]-	666.220351	256.1
[M+Na-2H]-	628.181166	250.0
[M]+	607.20595142	247.5
[M]-	607.20704858	247.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

608.213776

253.0

[M+Na]+

630.195718

257.4

[M-H]-

606.199224

265.4

[M+NH4]+

625.240323

258.3

[M+K]+

646.169658

246.9

[M+H-H2O]+

590.203760

231.7

[M+HCOO]-

652.204701

267.3

[M+CH3COO]-

666.220351

256.1

[M+Na-2H]-

628.181166

250.0

[M]+

607.20595142

247.5

[M]-

607.20704858

247.5

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

1647050-25-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe