CID 525677

3-chloro-n-(4-chlorobenzylidene)aniline

Structural Information

Molecular Formula
C13H9Cl2N
SMILES
C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9Cl2N/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H
InChIKey
NNWYYLJSAVGNSF-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.0112 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01848 152.1
[M+Na]+ 272.00042 162.2
[M-H]- 248.00392 159.4
[M+NH4]+ 267.04502 171.1
[M+K]+ 287.97436 155.5
[M+H-H2O]+ 232.00846 146.0
[M+HCOO]- 294.00940 169.7
[M+CH3COO]- 308.02505 165.4
[M+Na-2H]- 269.98587 158.5
[M]+ 249.01065 155.4
[M]- 249.01175 155.4
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

patents stripe