CID 918403

4-chloro-n-(2,4-dichlorobenzylidene)aniline

Structural Information

Molecular Formula
C13H8Cl3N
SMILES
C1=CC(=CC=C1N=CC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3N/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-8H
InChIKey
VICCSUUWWDVJCE-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.97223 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97951 159.1
[M+Na]+ 305.96145 169.9
[M-H]- 281.96495 165.2
[M+NH4]+ 301.00605 176.9
[M+K]+ 321.93539 162.5
[M+H-H2O]+ 265.96949 153.7
[M+HCOO]- 327.97043 171.0
[M+CH3COO]- 341.98608 171.4
[M+Na-2H]- 303.94690 163.5
[M]+ 282.97168 162.9
[M]- 282.97278 162.9
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

patents stripe