CID 20983347

3-(5-bromofuran-2-yl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C7H5BrN2O2
SMILES
C1=C(OC(=C1)Br)C2=NOC(=C2)N
InChI
InChI=1S/C7H5BrN2O2/c8-6-2-1-5(11-6)4-3-7(9)12-10-4/h1-3H,9H2
InChIKey
MTDQAANDQCLXHZ-UHFFFAOYSA-N
Compound name
3-(5-bromofuran-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.95345 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96073 139.4
[M+Na]+ 250.94267 153.6
[M-H]- 226.94617 149.4
[M+NH4]+ 245.98727 160.4
[M+K]+ 266.91661 145.4
[M+H-H2O]+ 210.95071 139.3
[M+HCOO]- 272.95165 163.9
[M+CH3COO]- 286.96730 156.4
[M+Na-2H]- 248.92812 147.1
[M]+ 227.95290 160.9
[M]- 227.95400 160.9
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.