CID 958512

Ethyl 4-(2,4-dichlorobenzylideneamino)benzoate

Structural Information

Molecular Formula
C16H13Cl2NO2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO2/c1-2-21-16(20)11-4-7-14(8-5-11)19-10-12-3-6-13(17)9-15(12)18/h3-10H,2H2,1H3
InChIKey
VYRKRYIWDIFJAF-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,4-dichlorophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.03235 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03963 170.2
[M+Na]+ 344.02157 186.3
[M+NH4]+ 339.06617 178.9
[M+K]+ 359.99551 176.7
[M-H]- 320.02507 175.2
[M+Na-2H]- 342.00702 179.4
[M]+ 321.03180 174.6
[M]- 321.03290 174.6
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

No patent data available for this compound.