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]+ 228.960726 139.4
[M+Na]+ 250.942668 153.6
[M-H]- 226.946174 149.4
[M+NH4]+ 245.987273 160.4
[M+K]+ 266.916608 145.4
[M+H-H2O]+ 210.950710 139.3
[M+HCOO]- 272.951651 163.9
[M+CH3COO]- 286.967301 156.4
[M+Na-2H]- 248.928116 147.1
[M]+ 227.95290142 160.9
[M]- 227.95399858 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.