CID 9655030

3155-21-3

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=COC(=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c15-14(16)10-5-3-9(4-6-10)13-12-8-11-2-1-7-17-11/h1-8,13H/b12-8+
InChIKey
ROUNDRXXZYHEHX-XYOKQWHBSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 148.7
[M+Na]+ 254.05361 161.0
[M+NH4]+ 249.09821 156.6
[M+K]+ 270.02755 159.2
[M-H]- 230.05711 155.9
[M+Na-2H]- 252.03906 156.6
[M]+ 231.06384 152.2
[M]- 231.06494 152.2
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.