CID 5122786

N-(3,4-dichlorobenzylidene)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.0112 Da
Monoisotopic Mass

4.5
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

literature stripe

Patent stripe

patents stripe