CID 9575558

[(z)-[amino-(2,4-dichlorophenyl)methylene]amino] 2-chlorobenzoate

Structural Information

Molecular Formula
C14H9Cl3N2O2
SMILES
C1=CC=C(C(=C1)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N)Cl
InChI
InChI=1S/C14H9Cl3N2O2/c15-8-5-6-9(12(17)7-8)13(18)19-21-14(20)10-3-1-2-4-11(10)16/h1-7H,(H2,18,19)
InChIKey
DMDGRYPNLUJVEY-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.97296 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98024 172.4
[M+Na]+ 364.96218 181.6
[M-H]- 340.96568 178.5
[M+NH4]+ 360.00678 187.2
[M+K]+ 380.93612 175.4
[M+H-H2O]+ 324.97022 167.1
[M+HCOO]- 386.97116 183.5
[M+CH3COO]- 400.98681 212.8
[M+Na-2H]- 362.94763 173.7
[M]+ 341.97241 176.4
[M]- 341.97351 176.4
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

No patent data available for this compound.