CID 36335

2,6-dibromoacetanilide

Structural Information

Molecular Formula

C₈H₇Br₂NO

SMILES

CC(=O)NC1=C(C=CC=C1Br)Br

InChI

InChI=1S/C8H7Br2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)

InChIKey

PNLHXEUNINMJFM-UHFFFAOYSA-N

Compound name

N-(2,6-dibromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 290.88943 Da
Monoisotopic Mass: 1.5
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]+	291.89671	139.8
[M+Na]+	313.87865	150.3
[M-H]-	289.88215	146.6
[M+NH4]+	308.92325	158.9
[M+K]+	329.85259	134.6
[M+H-H2O]+	273.88669	146.9
[M+HCOO]-	335.88763	156.6
[M+CH3COO]-	349.90328	204.0
[M+Na-2H]-	311.86410	146.5
[M]+	290.88888	173.0
[M]-	290.88998	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe