CID 12963876

N-(4-bromophenyl)-n-phenylacetamide

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

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

InChI

InChI=1S/C14H12BrNO/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(15)8-10-14/h2-10H,1H3

InChIKey

XLBKCJHPQFREHU-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 289.01022 Da
Monoisotopic Mass: 3.7
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]+	290.017496	157.4
[M+Na]+	311.999438	167.0
[M-H]-	288.002944	167.7
[M+NH4]+	307.044043	176.6
[M+K]+	327.973378	156.4
[M+H-H2O]+	272.007480	155.9
[M+HCOO]-	334.008421	180.0
[M+CH3COO]-	348.024071	202.0
[M+Na-2H]-	309.984886	163.9
[M]+	289.00967142	176.0
[M]-	289.01076858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe