CID 531830

158525-82-7

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br

InChI

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

InChIKey

LDZAMVJRGBUYEO-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
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	157.2
[M+Na]+	311.999438	167.5
[M-H]-	288.002944	166.4
[M+NH4]+	307.044043	176.1
[M+K]+	327.973378	155.5
[M+H-H2O]+	272.007480	155.9
[M+HCOO]-	334.008421	179.3
[M+CH3COO]-	348.024071	199.8
[M+Na-2H]-	309.984886	163.7
[M]+	289.00967142	175.0
[M]-	289.01076858	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe