CID 4521249

N-(4-chlorobenzylidene)-2,3-dichloroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.