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 161.6
[M+Na]+ 322.04102 170.4
[M-H]- 298.04452 164.1
[M+NH4]+ 317.08562 174.7
[M+K]+ 338.01496 167.9
[M+H-H2O]+ 282.04906 151.8
[M+HCOO]- 344.05000 180.2
[M+CH3COO]- 358.06565 205.4
[M+Na-2H]- 320.02647 162.7
[M]+ 299.05125 157.4
[M]- 299.05235 157.4
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.