CID 967950

N-(4-chlorobenzylidene)-3,4-dichloroaniline

Structural Information

Molecular Formula
C13H8Cl3N
SMILES
C1=CC(=CC=C1C=NC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3N/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-8H
InChIKey
JKNNTFOQVFDRKC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.97223 Da
Monoisotopic Mass

5.3
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