CID 3039171

Brn 1025003

Structural Information

Molecular Formula
C12H8F3N3O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C12H8F3N3O3/c13-12(14,15)6-3-1-2-5(4-6)11-18-7(9(16)19)8(21-11)10(17)20/h1-4H,(H2,16,19)(H2,17,20)
InChIKey
HCQAQCDYEMDZIP-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05908 165.1
[M+Na]+ 322.04102 171.5
[M+NH4]+ 317.08562 167.8
[M+K]+ 338.01496 171.3
[M-H]- 298.04452 163.0
[M+Na-2H]- 320.02647 167.0
[M]+ 299.05125 164.8
[M]- 299.05235 164.8
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.