CID 21698248

88982-28-9

Structural Information

Molecular Formula

C₄H₃Br₂NO

SMILES

C1=C(ON=C1Br)CBr

InChI

InChI=1S/C4H3Br2NO/c5-2-3-1-4(6)7-8-3/h1H,2H2

InChIKey

NFCHMZFEFOKVDT-UHFFFAOYSA-N

Compound name

3-bromo-5-(bromomethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 238.85814 Da
Monoisotopic Mass: 2.0
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]+	239.86542	127.8
[M+Na]+	261.84736	140.5
[M-H]-	237.85086	134.6
[M+NH4]+	256.89196	148.5
[M+K]+	277.82130	127.3
[M+H-H2O]+	221.85540	136.4
[M+HCOO]-	283.85634	145.0
[M+CH3COO]-	297.87199	193.0
[M+Na-2H]-	259.83281	136.9
[M]+	238.85759	163.1
[M]-	238.85869	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe