PubChemLite - 1082549-89-0 (C36H31BN2O2)

Structural Information

Molecular Formula

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N3C4=CC=CC=C4C5=CC=CC=C53)N6C7=CC=CC=C7C8=CC=CC=C86

InChI

InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-21-25(38-31-17-9-5-13-27(31)28-14-6-10-18-32(28)38)23-26(22-24)39-33-19-11-7-15-29(33)30-16-8-12-20-34(30)39/h5-23H,1-4H3

InChIKey

ADMPYRNBAYKWOL-UHFFFAOYSA-N

Compound name

9-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

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]+	535.25514	227.7
[M+Na]+	557.23708	249.1
[M+NH4]+	552.28168	240.2
[M+K]+	573.21102	239.1
[M-H]-	533.24058	240.8
[M+Na-2H]-	555.22253	238.3
[M]+	534.24731	235.6
[M]-	534.24841	235.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.25514

227.7

[M+Na]+

557.23708

249.1

[M+NH4]+

552.28168

240.2

[M+K]+

573.21102

239.1

[M-H]-

533.24058

240.8

[M+Na-2H]-

555.22253

238.3

[M]+

534.24731

235.6

[M]-

534.24841

235.6

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

1082549-89-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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