CID 68358431

934545-80-9

Structural Information

Molecular Formula

C₂₂H₁₄BrN

SMILES

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)Br)C5=CC=CC=C53

InChI

InChI=1S/C22H14BrN/c23-17-10-12-22-20(14-17)19-7-3-4-8-21(19)24(22)18-11-9-15-5-1-2-6-16(15)13-18/h1-14H

InChIKey

MBGUQKKYEOAENA-UHFFFAOYSA-N

Compound name

3-bromo-9-naphthalen-2-ylcarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 371.03094 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

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]+	372.038216	185.2
[M+Na]+	394.020158	199.6
[M-H]-	370.023664	196.5
[M+NH4]+	389.064763	204.6
[M+K]+	409.994098	185.8
[M+H-H2O]+	354.028200	183.4
[M+HCOO]-	416.029141	205.4
[M+CH3COO]-	430.044791	198.9
[M+Na-2H]-	392.005606	193.1
[M]+	371.03039142	206.4
[M]-	371.03148858	206.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe