CID 87711164

1020180-02-2

Structural Information

Molecular Formula

C₁₉H₁₄BrN

SMILES

C1=CC=C(C=C1)C(=NC2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H14BrN/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H

InChIKey

PSMJOXYIIMQESA-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)-1,1-diphenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 335.03094 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]+	336.03822	171.8
[M+Na]+	358.02016	180.6
[M-H]-	334.02366	184.2
[M+NH4]+	353.06476	188.6
[M+K]+	373.99410	168.0
[M+H-H2O]+	318.02820	169.2
[M+HCOO]-	380.02914	194.6
[M+CH3COO]-	394.04479	185.0
[M+Na-2H]-	356.00561	178.9
[M]+	335.03039	188.5
[M]-	335.03149	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe