CID 92627

4-azidophenacyl bromide

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

C1=CC(=CC=C1C(=O)CBr)N=[N+]=[N-]

InChI

InChI=1S/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2

InChIKey

LZJPDRANSVSGOR-UHFFFAOYSA-N

Compound name

1-(4-azidophenyl)-2-bromoethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 30
References: 978
Patents: 238.96942 Da
Monoisotopic Mass: 3.3
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]+	239.97670	141.8
[M+Na]+	261.95864	152.1
[M-H]-	237.96214	150.5
[M+NH4]+	257.00324	162.8
[M+K]+	277.93258	137.2
[M+H-H2O]+	221.96668	144.1
[M+HCOO]-	283.96762	169.7
[M+CH3COO]-	297.98327	191.2
[M+Na-2H]-	259.94409	152.4
[M]+	238.96887	158.9
[M]-	238.96997	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe