CID 4103667

3-chloro-n-(2-chlorobenzylidene)aniline

Structural Information

Molecular Formula
C13H9Cl2N
SMILES
C1=CC=C(C(=C1)C=NC2=CC(=CC=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2N/c14-11-5-3-6-12(8-11)16-9-10-4-1-2-7-13(10)15/h1-9H
InChIKey
MZJZNAQCSPQXRV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N-(3-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.0112 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.018476 152.1
[M+Na]+ 272.000418 162.2
[M-H]- 248.003924 159.4
[M+NH4]+ 267.045023 171.1
[M+K]+ 287.974358 155.5
[M+H-H2O]+ 232.008460 146.0
[M+HCOO]- 294.009401 169.7
[M+CH3COO]- 308.025051 165.4
[M+Na-2H]- 269.985866 158.5
[M]+ 249.01065142 155.4
[M]- 249.01174858 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