CID 57746339

1160294-93-8

Structural Information

Molecular Formula

C₁₈H₁₄BrN

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13,20H

InChIKey

RDSXVQDXXSPFHG-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-4-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 323.03094 Da
Monoisotopic Mass: 5.8
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]+	324.03822	167.9
[M+Na]+	346.02016	177.5
[M-H]-	322.02366	179.4
[M+NH4]+	341.06476	184.9
[M+K]+	361.99410	164.3
[M+H-H2O]+	306.02820	165.7
[M+HCOO]-	368.02914	190.4
[M+CH3COO]-	382.04479	181.3
[M+Na-2H]-	344.00561	175.6
[M]+	323.03039	184.3
[M]-	323.03149	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe