CID 6897752

5-nitro-2-furaldehyde (5-nitrofurfurylene)hydrazone

Structural Information

Molecular Formula
C10H6N4O6
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N4O6/c15-13(16)9-3-1-7(19-9)5-11-12-6-8-2-4-10(20-8)14(17)18/h1-6H/b11-5+,12-6+
InChIKey
LIELVKLOFLWIGJ-YDWXAUTNSA-N
Compound name
(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

278.02875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03603 162.8
[M+Na]+ 301.01797 168.6
[M-H]- 277.02147 173.9
[M+NH4]+ 296.06257 177.3
[M+K]+ 316.99191 161.4
[M+H-H2O]+ 261.02601 163.9
[M+HCOO]- 323.02695 195.1
[M+CH3COO]- 337.04260 192.5
[M+Na-2H]- 299.00342 174.0
[M]+ 278.02820 164.8
[M]- 278.02930 164.8
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

patents stripe