CID 3007293

Acetamide, n-[3-[3-(2,6-dichlorophenyl)-5-isoxazolyl]phenyl]-2,2-difluoro-

Structural Information

Molecular Formula
C17H10Cl2F2N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(F)F)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H10Cl2F2N2O2/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
IKGPEDVRTHKMBG-UHFFFAOYSA-N
Compound name
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-difluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

382.00873 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01601 182.7
[M+Na]+ 404.99795 192.9
[M-H]- 381.00145 189.1
[M+NH4]+ 400.04255 194.5
[M+K]+ 420.97189 186.4
[M+H-H2O]+ 365.00599 173.0
[M+HCOO]- 427.00693 193.6
[M+CH3COO]- 441.02258 193.1
[M+Na-2H]- 402.98340 182.2
[M]+ 382.00818 185.7
[M]- 382.00928 185.7
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