CID 764332

71910-51-5

Structural Information

Molecular Formula

C₁₅H₁₂BrNO

SMILES

C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C15H12BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)

InChIKey

FZGNQEIHILPJBW-UHFFFAOYSA-N

Compound name

N-(2-bromophenyl)-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 301.01022 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]+	302.01750	160.9
[M+Na]+	323.99944	170.3
[M-H]-	300.00294	169.6
[M+NH4]+	319.04404	179.1
[M+K]+	339.97338	157.5
[M+H-H2O]+	284.00748	159.4
[M+HCOO]-	346.00842	182.9
[M+CH3COO]-	360.02407	200.2
[M+Na-2H]-	321.98489	167.5
[M]+	301.00967	177.9
[M]-	301.01077	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe