CID 84668630

1352885-93-8

Structural Information

Molecular Formula

C₆H₃BrN₂O

SMILES

C1=CC(=NC2=C1OC=N2)Br

InChI

InChI=1S/C6H3BrN2O/c7-5-2-1-4-6(9-5)8-3-10-4/h1-3H

InChIKey

SFEIWPWYOWZTFZ-UHFFFAOYSA-N

Compound name

5-bromo-[1,3]oxazolo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 197.94289 Da
Monoisotopic Mass: 2.1
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]+	198.950166	127.8
[M+Na]+	220.932108	143.0
[M-H]-	196.935614	134.1
[M+NH4]+	215.976713	150.1
[M+K]+	236.906048	134.0
[M+H-H2O]+	180.940150	128.1
[M+HCOO]-	242.941091	150.0
[M+CH3COO]-	256.956741	145.1
[M+Na-2H]-	218.917556	140.0
[M]+	197.94234142	149.7
[M]-	197.94343858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe