CID 407031

5349-17-7

Structural Information

Molecular Formula

SMILES

C1=CN=CC=C1C(=O)CBr

InChI

InChI=1S/C7H6BrNO/c8-5-7(10)6-1-3-9-4-2-6/h1-4H,5H2

InChIKey

NAFCUKZZHZYPKB-UHFFFAOYSA-N

Compound name

2-bromo-1-pyridin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1029
Patents: 198.96329 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]+	199.97057	131.4
[M+Na]+	221.95251	135.2
[M+NH4]+	216.99711	136.4
[M+K]+	237.92645	135.2
[M-H]-	197.95601	131.6
[M+Na-2H]-	219.93796	136.0
[M]+	198.96274	130.8
[M]-	198.96384	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe