CID 216894

37852-59-8

Structural Information

Molecular Formula

C₁₁H₉BrN₂O₂

SMILES

C1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CBr

InChI

InChI=1S/C11H9BrN2O2/c12-7-10(15)13-11-6-9(14-16-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,15)

InChIKey

ZWCYNKMAYQTQBA-UHFFFAOYSA-N

Compound name

2-bromo-N-(3-phenyl-1,2-oxazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.98474 Da
Monoisotopic Mass: 2.3
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]+	280.992016	154.1
[M+Na]+	302.973958	164.9
[M-H]-	278.977464	162.8
[M+NH4]+	298.018563	172.4
[M+K]+	318.947898	155.0
[M+H-H2O]+	262.982000	152.5
[M+HCOO]-	324.982941	176.1
[M+CH3COO]-	338.998591	194.6
[M+Na-2H]-	300.959406	161.2
[M]+	279.98419142	173.7
[M]-	279.98528858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.