CID 3007232

2,2-dichloro-n-[3-[3-(2,6-dichlorophenyl)-5-isoxazolyl]phenyl]acetamide

Structural Information

Molecular Formula
C17H10Cl4N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H10Cl4N2O2/c18-11-5-2-6-12(19)15(11)13-8-14(25-23-13)9-3-1-4-10(7-9)22-17(24)16(20)21/h1-8,16H,(H,22,24)
InChIKey
SFNMMPOIFMAMMG-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

413.94965 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.95693 190.7
[M+Na]+ 436.93887 199.9
[M-H]- 412.94237 196.3
[M+NH4]+ 431.98347 201.1
[M+K]+ 452.91281 193.9
[M+H-H2O]+ 396.94691 183.4
[M+HCOO]- 458.94785 192.3
[M+CH3COO]- 472.96350 199.2
[M+Na-2H]- 434.92432 188.7
[M]+ 413.94910 195.1
[M]- 413.95020 195.1
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

patents stripe