CID 2757114

422560-40-5

Structural Information

Molecular Formula

C₈H₉BrN₂O

SMILES

C1=CC(=CC=C1CC(=NO)N)Br

InChI

InChI=1S/C8H9BrN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)

InChIKey

WHICEIACQGPSMU-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-N'-hydroxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 227.98982 Da
Monoisotopic Mass: 1.7
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]+	228.99710	140.7
[M+Na]+	250.97904	150.6
[M-H]-	226.98254	146.4
[M+NH4]+	246.02364	161.3
[M+K]+	266.95298	139.1
[M+H-H2O]+	210.98708	139.4
[M+HCOO]-	272.98802	163.5
[M+CH3COO]-	287.00367	189.9
[M+Na-2H]-	248.96449	147.6
[M]+	227.98927	156.5
[M]-	227.99037	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe