CID 84043432

1707391-71-6

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
C1COC2=C(C(=NN21)C(=O)O)Br
InChI
InChI=1S/C6H5BrN2O3/c7-3-4(6(10)11)8-9-1-2-12-5(3)9/h1-2H2,(H,10,11)
InChIKey
IEJCNCPXIIBCQB-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94835 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 147.6
[M+Na]+ 254.93757 148.2
[M+NH4]+ 249.98217 150.8
[M+K]+ 270.91151 153.6
[M-H]- 230.94107 145.9
[M+Na-2H]- 252.92302 146.1
[M]+ 231.94780 145.6
[M]- 231.94890 145.6
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.