CID 83883039

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93998 130.1
[M+Na]+ 228.92192 143.1
[M-H]- 204.92542 133.8
[M+NH4]+ 223.96652 150.0
[M+K]+ 244.89586 134.6
[M+H-H2O]+ 188.92996 129.8
[M+HCOO]- 250.93090 149.6
[M+CH3COO]- 264.94655 177.2
[M+Na-2H]- 226.90737 138.0
[M]+ 205.93215 150.4
[M]- 205.93325 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.