CID 525674

N-(4-bromobenzylidene)aniline

Structural Information

Molecular Formula

C₁₃H₁₀BrN

SMILES

C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-10H

InChIKey

MJSLSMOBYCYMIM-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-N-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 258.99966 Da
Monoisotopic Mass: 3.5
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]+	260.006936	148.5
[M+Na]+	281.988878	159.3
[M-H]-	257.992384	158.8
[M+NH4]+	277.033483	169.2
[M+K]+	297.962818	147.5
[M+H-H2O]+	241.996920	147.4
[M+HCOO]-	303.997861	173.2
[M+CH3COO]-	318.013511	195.7
[M+Na-2H]-	279.974326	157.9
[M]+	258.99911142	166.6
[M]-	259.00020858	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe