CID 9657699

477734-11-5

Structural Information

Molecular Formula
C13H9Cl2N3O3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H9Cl2N3O3/c14-9-4-1-5-10(11(9)15)17-12(19)13(20)18-16-7-8-3-2-6-21-8/h1-7H,(H,17,19)(H,18,20)/b16-7+
InChIKey
IILGPWKQBDQVJM-FRKPEAEDSA-N
Compound name
N-(2,3-dichlorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00938 175.1
[M+Na]+ 347.99132 183.1
[M-H]- 323.99482 183.6
[M+NH4]+ 343.03592 190.6
[M+K]+ 363.96526 179.0
[M+H-H2O]+ 307.99936 168.6
[M+HCOO]- 370.00030 193.6
[M+CH3COO]- 384.01595 209.7
[M+Na-2H]- 345.97677 178.2
[M]+ 325.00155 179.8
[M]- 325.00265 179.8
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.