CID 3039174

4,5-oxazoledicarboxamide, 2-(3-fluorophenyl)-

Structural Information

Molecular Formula
C11H8FN3O3
SMILES
C1=CC(=CC(=C1)F)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C11H8FN3O3/c12-6-3-1-2-5(4-6)11-15-7(9(13)16)8(18-11)10(14)17/h1-4H,(H2,13,16)(H2,14,17)
InChIKey
MQXKWOFFINETKB-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06224 152.2
[M+Na]+ 272.04418 160.9
[M-H]- 248.04768 157.2
[M+NH4]+ 267.08878 167.3
[M+K]+ 288.01812 158.9
[M+H-H2O]+ 232.05222 143.7
[M+HCOO]- 294.05316 174.9
[M+CH3COO]- 308.06881 197.1
[M+Na-2H]- 270.02963 153.8
[M]+ 249.05441 150.5
[M]- 249.05551 150.5
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.