CID 83883039

1550843-03-2

Structural Information

Molecular Formula

C₄H₃BrN₂O₃

SMILES

C(C1=NN=C(O1)Br)C(=O)O

InChI

InChI=1S/C4H3BrN2O3/c5-4-7-6-2(10-4)1-3(8)9/h1H2,(H,8,9)

InChIKey

JHMQCMDNKLSKEG-UHFFFAOYSA-N

Compound name

2-(5-bromo-1,3,4-oxadiazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.9327 Da
Monoisotopic Mass: 0.3
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]+	206.93998	137.0
[M+Na]+	228.92192	138.5
[M+NH4]+	223.96652	139.7
[M+K]+	244.89586	142.6
[M-H]-	204.92542	135.3
[M+Na-2H]-	226.90737	137.6
[M]+	205.93215	135.2
[M]-	205.93325	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.