CID 339623

67764-99-2

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)NC
InChI
InChI=1S/C12H11FN2O2/c1-7-10(12(16)14-2)11(15-17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16)
InChIKey
DVDZYPBJVUNUKM-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.08046 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 149.5
[M+Na]+ 257.06968 159.0
[M-H]- 233.07318 155.3
[M+NH4]+ 252.11428 166.6
[M+K]+ 273.04362 157.0
[M+H-H2O]+ 217.07772 141.4
[M+HCOO]- 279.07866 172.8
[M+CH3COO]- 293.09431 193.0
[M+Na-2H]- 255.05513 153.4
[M]+ 234.07991 150.7
[M]- 234.08101 150.7
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