CID 3007256

Schembl5150428

Structural Information

Molecular Formula
C17H11Cl3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CCl)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O2/c18-9-16(23)21-11-4-1-3-10(7-11)15-8-14(22-24-15)17-12(19)5-2-6-13(17)20/h1-8H,9H2,(H,21,23)
InChIKey
BPBZBVQWKKZIKF-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

379.98862 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.995896 185.8
[M+Na]+ 402.977838 196.0
[M-H]- 378.981344 193.3
[M+NH4]+ 398.022443 197.9
[M+K]+ 418.951778 189.4
[M+H-H2O]+ 362.985880 178.1
[M+HCOO]- 424.986821 194.0
[M+CH3COO]- 439.002471 196.0
[M+Na-2H]- 400.963286 186.2
[M]+ 379.98807142 191.4
[M]- 379.98916858 191.4
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