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]+ 217.06078 144.8
[M+Na]+ 239.04272 151.8
[M-H]- 215.04622 153.8
[M+NH4]+ 234.08732 162.9
[M+K]+ 255.01666 146.7
[M+H-H2O]+ 199.05076 142.1
[M+HCOO]- 261.05170 173.9
[M+CH3COO]- 275.06735 183.5
[M+Na-2H]- 237.02817 154.0
[M]+ 216.05295 145.0
[M]- 216.05405 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.