CID 3007263

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

Structural Information

Molecular Formula
C19H13Cl2F3N2O2
SMILES
CC1=C(C(=CC=C1)C(F)(F)F)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C19H13Cl2F3N2O2/c1-10-4-2-7-13(19(22,23)24)16(10)14-9-15(28-26-14)11-5-3-6-12(8-11)25-18(27)17(20)21/h2-9,17H,1H3,(H,25,27)
InChIKey
GKWMJMXXKVSFIL-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-methyl-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

428.0306 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03788 194.0
[M+Na]+ 451.01982 203.9
[M-H]- 427.02332 199.3
[M+NH4]+ 446.06442 204.2
[M+K]+ 466.99376 197.2
[M+H-H2O]+ 411.02786 183.7
[M+HCOO]- 473.02880 201.8
[M+CH3COO]- 487.04445 224.6
[M+Na-2H]- 449.00527 193.1
[M]+ 428.03005 196.2
[M]- 428.03115 196.2
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