PubChemLite - 1296229-26-9 (C42H29N2OP)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97

InChI

InChI=1S/C42H29N2OP/c45-46(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43/h1-29H

InChIKey

WCHVVGQFMSTMGP-UHFFFAOYSA-N

Compound name

9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole

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]+	609.20898	249.9
[M+Na]+	631.19092	256.8
[M-H]-	607.19442	264.5
[M+NH4]+	626.23552	254.1
[M+K]+	647.16486	246.7
[M+H-H2O]+	591.19896	232.1
[M+HCOO]-	653.19990	269.1
[M+CH3COO]-	667.21555	254.8
[M+Na-2H]-	629.17637	246.2
[M]+	608.20115	250.4
[M]-	608.20225	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.20898

249.9

[M+Na]+

631.19092

256.8

[M-H]-

607.19442

264.5

[M+NH4]+

626.23552

254.1

[M+K]+

647.16486

246.7

[M+H-H2O]+

591.19896

232.1

[M+HCOO]-

653.19990

269.1

[M+CH3COO]-

667.21555

254.8

[M+Na-2H]-

629.17637

246.2

[M]+

608.20115

250.4

[M]-

608.20225

250.4

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

1296229-26-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe