CID 279970

N-(4-bromo-2,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)C

InChI

InChI=1S/C10H12BrNO/c1-6-5-10(12-8(3)13)7(2)4-9(6)11/h4-5H,1-3H3,(H,12,13)

InChIKey

TZQCMOHJNDKIEZ-UHFFFAOYSA-N

Compound name

N-(4-bromo-2,5-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 241.01022 Da
Monoisotopic Mass: 1.6
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]+	242.01750	143.8
[M+Na]+	263.99944	147.1
[M+NH4]+	259.04404	148.6
[M+K]+	279.97338	147.1
[M-H]-	240.00294	144.9
[M+Na-2H]-	261.98489	147.1
[M]+	241.00967	143.3
[M]-	241.01077	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe