CID 9557356

Akos001001900

Structural Information

Molecular Formula
C14H9Cl3N2O
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O/c15-11-5-2-1-4-9(11)14(20)19-18-8-10-12(16)6-3-7-13(10)17/h1-8H,(H,19,20)/b18-8+
InChIKey
CXIFWRIELQOKGZ-QGMBQPNBSA-N
Compound name
2-chloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.97806 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98534 170.6
[M+Na]+ 348.96728 180.2
[M-H]- 324.97078 176.8
[M+NH4]+ 344.01188 186.3
[M+K]+ 364.94122 173.1
[M+H-H2O]+ 308.97532 165.0
[M+HCOO]- 370.97626 182.8
[M+CH3COO]- 384.99191 210.5
[M+Na-2H]- 346.95273 173.7
[M]+ 325.97751 174.5
[M]- 325.97861 174.5
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.