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]+ 352.978176 168.9
[M+Na]+ 374.960118 168.6
[M-H]- 350.963624 169.4
[M+NH4]+ 370.004723 180.5
[M+K]+ 390.934058 167.1
[M+H-H2O]+ 334.968160 161.2
[M+HCOO]- 396.969101 191.1
[M+CH3COO]- 410.984751 199.4
[M+Na-2H]- 372.945566 164.3
[M]+ 351.97035142 164.7
[M]- 351.97144858 164.7
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.