CID 2799295

Mls000833680

Structural Information

Molecular Formula
C9H6BrN3O5
SMILES
CC1=C(C(=NO1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])Br
InChI
InChI=1S/C9H6BrN3O5/c1-4-7(10)8(12-18-4)11-9(14)5-2-3-6(17-5)13(15)16/h2-3H,1H3,(H,11,12,14)
InChIKey
ADOWXLLBBLZSCS-UHFFFAOYSA-N
Compound name
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.94907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.956346 162.0
[M+Na]+ 337.938288 173.6
[M-H]- 313.941794 172.5
[M+NH4]+ 332.982893 178.6
[M+K]+ 353.912228 161.9
[M+H-H2O]+ 297.946330 164.7
[M+HCOO]- 359.947271 186.4
[M+CH3COO]- 373.962921 194.8
[M+Na-2H]- 335.923736 169.8
[M]+ 314.94852142 184.1
[M]- 314.94961858 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.