CID 293097

2-acetamido-5-bromopyridine

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

CC(=O)NC1=NC=C(C=C1)Br

InChI

InChI=1S/C7H7BrN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)

InChIKey

MJFCOXATGBYERZ-UHFFFAOYSA-N

Compound name

N-(5-bromo-2-pyridinyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 388
Patents: 213.97418 Da
Monoisotopic Mass: 1.1
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]+	214.981456	134.4
[M+Na]+	236.963398	145.8
[M-H]-	212.966904	139.7
[M+NH4]+	232.008003	155.2
[M+K]+	252.937338	135.2
[M+H-H2O]+	196.971440	133.6
[M+HCOO]-	258.972381	156.2
[M+CH3COO]-	272.988031	185.5
[M+Na-2H]-	234.948846	143.1
[M]+	213.97363142	152.3
[M]-	213.97472858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe