CID 65017984

1159979-39-1

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

C1=CC(=CC=C1C2=NOC(=C2)CCO)Br

InChI

InChI=1S/C11H10BrNO2/c12-9-3-1-8(2-4-9)11-7-10(5-6-14)15-13-11/h1-4,7,14H,5-6H2

InChIKey

OKOLFLYTFJDVEJ-UHFFFAOYSA-N

Compound name

2-[3-(4-bromophenyl)-1,2-oxazol-5-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 266.9895 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]+	267.996776	151.2
[M+Na]+	289.978718	163.4
[M-H]-	265.982224	159.0
[M+NH4]+	285.023323	170.2
[M+K]+	305.952658	153.1
[M+H-H2O]+	249.986760	150.8
[M+HCOO]-	311.987701	171.7
[M+CH3COO]-	326.003351	189.3
[M+Na-2H]-	287.964166	158.0
[M]+	266.98895142	171.5
[M]-	266.99004858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe