CID 3682474

4'-acetamido-3'-bromoacetophenone

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

CC(=O)C1=CC(=C(C=C1)NC(=O)C)Br

InChI

InChI=1S/C10H10BrNO2/c1-6(13)8-3-4-10(9(11)5-8)12-7(2)14/h3-5H,1-2H3,(H,12,14)

InChIKey

PMYJAVHDFDKJBS-UHFFFAOYSA-N

Compound name

N-(4-acetyl-2-bromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 254.98949 Da
Monoisotopic Mass: 1.3
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]+	255.99677	146.3
[M+Na]+	277.97871	157.2
[M-H]-	253.98221	152.8
[M+NH4]+	273.02331	166.8
[M+K]+	293.95265	146.4
[M+H-H2O]+	237.98675	145.7
[M+HCOO]-	299.98769	167.7
[M+CH3COO]-	314.00334	194.6
[M+Na-2H]-	275.96416	151.4
[M]+	254.98894	165.1
[M]-	254.99004	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe