CID 3415837

2-bromo-n-pyridin-2-yl-acetamide

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

C1=CC=NC(=C1)NC(=O)CBr

InChI

InChI=1S/C7H7BrN2O/c8-5-7(11)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11)

InChIKey

GQQSFWQKKADDBB-UHFFFAOYSA-N

Compound name

2-bromo-N-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 213.97418 Da
Monoisotopic Mass: 1.4
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	136.3
[M+Na]+	236.96340	138.9
[M+NH4]+	232.00800	140.7
[M+K]+	252.93734	139.2
[M-H]-	212.96690	136.6
[M+Na-2H]-	234.94885	140.4
[M]+	213.97363	135.4
[M]-	213.97473	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe