CID 554970

4-iodo-n-[(4-nitrophenyl)methylene]benzenamine

Structural Information

Molecular Formula
C13H9IN2O2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)I)[N+](=O)[O-]
InChI
InChI=1S/C13H9IN2O2/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(17)18/h1-9H
InChIKey
UPTYSJVCCLVCPK-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
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 168.9
[M+Na]+ 374.96012 168.6
[M-H]- 350.96362 169.4
[M+NH4]+ 370.00472 180.5
[M+K]+ 390.93406 167.1
[M+H-H2O]+ 334.96816 161.2
[M+HCOO]- 396.96910 191.1
[M+CH3COO]- 410.98475 199.4
[M+Na-2H]- 372.94557 164.3
[M]+ 351.97035 164.7
[M]- 351.97145 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.