CID 555079

4-iodo-n-(3-nitrobenzylidene)aniline

Structural Information

Molecular Formula
C13H9IN2O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H9IN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H
InChIKey
LKCMREMLEOKTFK-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.9709 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.97818 168.5
[M+Na]+ 374.96012 175.7
[M+NH4]+ 370.00472 172.8
[M+K]+ 390.93406 172.9
[M-H]- 350.96362 168.8
[M+Na-2H]- 372.94557 165.0
[M]+ 351.97035 168.5
[M]- 351.97145 168.5
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.