CID 475453

Schembl8789754

Structural Information

Molecular Formula
C16H12Cl2N2O3
SMILES
C1C(=O)C2=C(C=CC=C2O1)NC(C3=C(C=CC=C3Cl)Cl)C(=O)N
InChI
InChI=1S/C16H12Cl2N2O3/c17-8-3-1-4-9(18)13(8)15(16(19)22)20-10-5-2-6-12-14(10)11(21)7-23-12/h1-6,15,20H,7H2,(H2,19,22)
InChIKey
VSDVQRHGEBHZCV-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-[(3-oxo-1-benzofuran-4-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.0225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02978 179.6
[M+Na]+ 373.01172 188.5
[M-H]- 349.01522 187.2
[M+NH4]+ 368.05632 194.7
[M+K]+ 388.98566 183.2
[M+H-H2O]+ 333.01976 174.1
[M+HCOO]- 395.02070 192.2
[M+CH3COO]- 409.03635 214.5
[M+Na-2H]- 370.99717 180.2
[M]+ 350.02195 182.9
[M]- 350.02305 182.9
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

patents stripe