CID 9077

N-(5-nitrofurfurylidene)aniline

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=C(C=C1)N=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O3/c14-13(15)11-7-6-10(16-11)8-12-9-4-2-1-3-5-9/h1-8H
InChIKey
OQWZYCADSKTIOH-UHFFFAOYSA-N
Compound name
1-(5-nitrofuran-2-yl)-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 144.8
[M+Na]+ 239.042718 151.8
[M-H]- 215.046224 153.8
[M+NH4]+ 234.087323 162.9
[M+K]+ 255.016658 146.7
[M+H-H2O]+ 199.050760 142.1
[M+HCOO]- 261.051701 173.9
[M+CH3COO]- 275.067351 183.5
[M+Na-2H]- 237.028166 154.0
[M]+ 216.05295142 145.0
[M]- 216.05404858 145.0
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.