CID 3007291

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

Structural Information

Molecular Formula
C18H10Cl3F3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C18H10Cl3F3N2O2/c19-13-5-4-10(18(22,23)24)7-12(13)14-8-15(28-26-14)9-2-1-3-11(6-9)25-17(27)16(20)21/h1-8,16H,(H,25,27)
InChIKey
BSAHIZHWWDXIDJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

447.97598 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.98326 194.2
[M+Na]+ 470.96520 204.2
[M-H]- 446.96870 198.3
[M+NH4]+ 466.00980 203.6
[M+K]+ 486.93914 197.2
[M+H-H2O]+ 430.97324 184.3
[M+HCOO]- 492.97418 196.9
[M+CH3COO]- 506.98983 225.9
[M+Na-2H]- 468.95065 192.8
[M]+ 447.97543 196.6
[M]- 447.97653 196.6
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