CID 293097

7169-97-3

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-bromopyridin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 342
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]+	214.98146	135.8
[M+Na]+	236.96340	138.8
[M+NH4]+	232.00800	140.3
[M+K]+	252.93734	139.3
[M-H]-	212.96690	136.1
[M+Na-2H]-	234.94885	139.8
[M]+	213.97363	135.0
[M]-	213.97473	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe