CID 90202460

1613166-38-3

Structural Information

Molecular Formula

C₁₁H₉BrN₂O₂

SMILES

C1=CC(=CC=C1CBr)C2=NOC(=C2)C(=O)N

InChI

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

InChIKey

ZOCIRTMGRFJZCN-UHFFFAOYSA-N

Compound name

3-[4-(bromomethyl)phenyl]-1,2-oxazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 279.98474 Da
Monoisotopic Mass: 1.8
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]+	280.99202	154.7
[M+Na]+	302.97396	166.2
[M-H]-	278.97746	163.2
[M+NH4]+	298.01856	172.9
[M+K]+	318.94790	155.9
[M+H-H2O]+	262.98200	153.2
[M+HCOO]-	324.98294	176.1
[M+CH3COO]-	338.99859	195.7
[M+Na-2H]-	300.95941	160.1
[M]+	279.98419	173.8
[M]-	279.98529	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe