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]+ 234.050936 148.9
[M+Na]+ 256.032878 156.6
[M-H]- 232.036384 160.3
[M+NH4]+ 251.077483 166.9
[M+K]+ 272.006818 153.4
[M+H-H2O]+ 216.040920 146.4
[M+HCOO]- 278.041861 181.9
[M+CH3COO]- 292.057511 188.8
[M+Na-2H]- 254.018326 159.2
[M]+ 233.04311142 152.9
[M]- 233.04420858 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.