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]+ 380.99590 185.8
[M+Na]+ 402.97784 196.0
[M-H]- 378.98134 193.3
[M+NH4]+ 398.02244 197.9
[M+K]+ 418.95178 189.4
[M+H-H2O]+ 362.98588 178.1
[M+HCOO]- 424.98682 194.0
[M+CH3COO]- 439.00247 196.0
[M+Na-2H]- 400.96329 186.2
[M]+ 379.98807 191.4
[M]- 379.98917 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

No patent data available for this compound.