CID 45054913

765912-76-3

Structural Information

Molecular Formula
C14H11Cl2N3O3
SMILES
C1=COC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O3/c15-11-4-3-9(6-12(11)16)14(21)17-8-13(20)19-18-7-10-2-1-5-22-10/h1-7H,8H2,(H,17,21)(H,19,20)/b18-7+
InChIKey
APJSRVVBYIJUNA-CNHKJKLMSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.01776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.02504 179.5
[M+Na]+ 362.00698 186.9
[M-H]- 338.01048 187.7
[M+NH4]+ 357.05158 194.3
[M+K]+ 377.98092 182.5
[M+H-H2O]+ 322.01502 172.7
[M+HCOO]- 384.01596 197.5
[M+CH3COO]- 398.03161 213.2
[M+Na-2H]- 359.99243 182.0
[M]+ 339.01721 184.6
[M]- 339.01831 184.6
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.