CID 306791

3-chloro-n-(3-nitrobenzylidene)-aniline

Structural Information

Molecular Formula
C13H9ClN2O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H9ClN2O2/c14-11-4-2-5-12(8-11)15-9-10-3-1-6-13(7-10)16(17)18/h1-9H
InChIKey
OVBDZJKHSCHXBO-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03525 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04253 156.5
[M+Na]+ 283.02447 164.2
[M-H]- 259.02797 164.4
[M+NH4]+ 278.06907 173.4
[M+K]+ 298.99841 155.5
[M+H-H2O]+ 243.03251 154.0
[M+HCOO]- 305.03345 180.2
[M+CH3COO]- 319.04910 192.4
[M+Na-2H]- 281.00992 164.4
[M]+ 260.03470 157.5
[M]- 260.03580 157.5
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.