CID 157868

N-(5-(4-chlorophenyl)-3-isoxazolyl)-2,6-dichlorobenzamide

Structural Information

Molecular Formula
C16H9Cl3N2O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NOC(=C2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl3N2O2/c17-10-6-4-9(5-7-10)13-8-14(21-23-13)20-16(22)15-11(18)2-1-3-12(15)19/h1-8H,(H,20,21,22)
InChIKey
VCIICMMQSLPILB-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.97296 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98024 181.3
[M+Na]+ 388.96218 191.9
[M-H]- 364.96568 189.0
[M+NH4]+ 384.00678 194.0
[M+K]+ 404.93612 185.6
[M+H-H2O]+ 348.97022 173.8
[M+HCOO]- 410.97116 189.8
[M+CH3COO]- 424.98681 191.9
[M+Na-2H]- 386.94763 182.2
[M]+ 365.97241 186.5
[M]- 365.97351 186.5
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

patents stripe