CID 3007242

Acetamide, 2,2-dichloro-n-[3-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

Molecular Formula
C18H11Cl2F3N2O3
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3O)C(F)(F)F
InChI
InChI=1S/C18H11Cl2F3N2O3/c19-16(20)17(27)24-10-4-1-3-9(7-10)14-8-12(25-28-14)15-11(18(21,22)23)5-2-6-13(15)26/h1-8,16,26H,(H,24,27)
InChIKey
BAGSOXLHHPRQBN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

430.0099 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.01718 191.0
[M+Na]+ 452.99912 200.6
[M-H]- 429.00262 195.3
[M+NH4]+ 448.04372 200.3
[M+K]+ 468.97306 194.1
[M+H-H2O]+ 413.00716 181.1
[M+HCOO]- 475.00810 197.9
[M+CH3COO]- 489.02375 221.6
[M+Na-2H]- 450.98457 190.5
[M]+ 430.00935 192.5
[M]- 430.01045 192.5
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

No patent data available for this compound.