CID 145340154

6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C10H4F3N3O3
SMILES
C1=CC2=C(C=C1C3=NOC(=N3)C(F)(F)F)OC(=O)N2
InChI
InChI=1S/C10H4F3N3O3/c11-10(12,13)8-15-7(16-19-8)4-1-2-5-6(3-4)18-9(17)14-5/h1-3H,(H,14,17)
InChIKey
PSRXSEPUXROEPW-UHFFFAOYSA-N
Compound name
6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02776 149.8
[M+Na]+ 294.00970 163.5
[M-H]- 270.01320 151.8
[M+NH4]+ 289.05430 163.7
[M+K]+ 309.98364 160.9
[M+H-H2O]+ 254.01774 140.9
[M+HCOO]- 316.01868 166.9
[M+CH3COO]- 330.03433 162.8
[M+Na-2H]- 291.99515 155.7
[M]+ 271.01993 151.3
[M]- 271.02103 151.3
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.