CID 525548

N-benzylidene-3-bromoaniline

Structural Information

Molecular Formula

C₁₃H₁₀BrN

SMILES

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

InChI

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

InChIKey

VDPUMIMWQUCITF-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
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]+	260.00694	148.5
[M+Na]+	281.98888	159.3
[M-H]-	257.99238	158.8
[M+NH4]+	277.03348	169.2
[M+K]+	297.96282	147.5
[M+H-H2O]+	241.99692	147.4
[M+HCOO]-	303.99786	173.2
[M+CH3COO]-	318.01351	195.7
[M+Na-2H]-	279.97433	157.9
[M]+	258.99911	166.6
[M]-	259.00021	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe