CID 9578426

Benzaldehyde 4-bromophenylhydrazone

Structural Information

Molecular Formula

C₁₃H₁₁BrN₂

SMILES

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

InChI

InChI=1S/C13H11BrN2/c14-12-6-8-13(9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10,16H/b15-10+

InChIKey

GJOWEMFPPKFGAH-XNTDXEJSSA-N

Compound name

N-[(E)-benzylideneamino]-4-bromoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.01056 Da
Monoisotopic Mass: 4.2
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]+	275.01784	151.8
[M+Na]+	296.99978	161.6
[M-H]-	273.00328	161.8
[M+NH4]+	292.04438	171.3
[M+K]+	312.97372	149.4
[M+H-H2O]+	257.00782	149.7
[M+HCOO]-	319.00876	177.3
[M+CH3COO]-	333.02441	200.3
[M+Na-2H]-	294.98523	161.5
[M]+	274.01001	169.1
[M]-	274.01111	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe