CID 3007241

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

Structural Information

Molecular Formula
C18H11Cl2F3N2O2
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)C(F)(F)F
InChI
InChI=1S/C18H11Cl2F3N2O2/c19-16(20)17(26)24-11-5-3-4-10(8-11)15-9-14(25-27-15)12-6-1-2-7-13(12)18(21,22)23/h1-9,16H,(H,24,26)
InChIKey
WRHJYADIGRMFBS-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.01495 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02223 189.1
[M+Na]+ 437.00417 198.4
[M-H]- 413.00767 194.1
[M+NH4]+ 432.04877 199.5
[M+K]+ 452.97811 191.9
[M+H-H2O]+ 397.01221 178.6
[M+HCOO]- 459.01315 197.1
[M+CH3COO]- 473.02880 220.5
[M+Na-2H]- 434.98962 189.3
[M]+ 414.01440 190.5
[M]- 414.01550 190.5
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

patents stripe