CID 9570821

2-furaldehyde, azine with 5-nitro-2-furaldehyde

Structural Information

Molecular Formula
C10H7N3O4
SMILES
C1=COC(=C1)/C=N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4/c14-13(15)10-4-3-9(17-10)7-12-11-6-8-2-1-5-16-8/h1-7H/b11-6+,12-7+
InChIKey
UBSSQIVIJWPSOH-GNXRPPCSSA-N
Compound name
(E)-1-(furan-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05094 148.9
[M+Na]+ 256.03288 156.6
[M-H]- 232.03638 160.3
[M+NH4]+ 251.07748 166.9
[M+K]+ 272.00682 153.4
[M+H-H2O]+ 216.04092 146.4
[M+HCOO]- 278.04186 181.9
[M+CH3COO]- 292.05751 188.8
[M+Na-2H]- 254.01833 159.2
[M]+ 233.04311 152.9
[M]- 233.04421 152.9
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.