CID 6433392

3878-31-7

Structural Information

Molecular Formula
C10H7N3O6
SMILES
CC(=O)N1C(=O)OC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O6/c1-6(14)12-10(15)19-8(11-12)4-2-7-3-5-9(18-7)13(16)17/h2-5H,1H3/b4-2+
InChIKey
FHOVWDHNALTYPI-DUXPYHPUSA-N
Compound name
3-acetyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03348 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04076 153.4
[M+Na]+ 288.02270 163.4
[M-H]- 264.02620 160.7
[M+NH4]+ 283.06730 167.2
[M+K]+ 303.99664 159.4
[M+H-H2O]+ 248.03074 151.0
[M+HCOO]- 310.03168 178.6
[M+CH3COO]- 324.04733 185.9
[M+Na-2H]- 286.00815 159.9
[M]+ 265.03293 158.2
[M]- 265.03403 158.2
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.