CID 726123

N-(3,4-dichlorophenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C16H9Cl2NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl2NO3/c17-12-6-5-10(8-13(12)18)19-15(20)11-7-9-3-1-2-4-14(9)22-16(11)21/h1-8H,(H,19,20)
InChIKey
NIDUNYLRJWGPHC-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.99594 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00322 170.4
[M+Na]+ 355.98516 181.8
[M-H]- 331.98866 178.8
[M+NH4]+ 351.02976 185.3
[M+K]+ 371.95910 176.3
[M+H-H2O]+ 315.99320 164.1
[M+HCOO]- 377.99414 184.3
[M+CH3COO]- 392.00979 182.7
[M+Na-2H]- 353.97061 176.2
[M]+ 332.99539 176.5
[M]- 332.99649 176.5
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.