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 144.5
[M+Na]+ 239.04272 158.1
[M+NH4]+ 234.08732 153.0
[M+K]+ 255.01666 155.9
[M-H]- 215.04622 151.5
[M+Na-2H]- 237.02817 152.8
[M]+ 216.05295 148.2
[M]- 216.05405 148.2
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.