CID 9860220

208401-20-1

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CC1=NOC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-19-17-7)11(18)16-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKey
SNUBGILHVSSQAY-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

270.0616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06888 155.0
[M+Na]+ 293.05082 164.1
[M-H]- 269.05432 157.9
[M+NH4]+ 288.09542 170.2
[M+K]+ 309.02476 161.6
[M+H-H2O]+ 253.05886 145.3
[M+HCOO]- 315.05980 174.5
[M+CH3COO]- 329.07545 197.0
[M+Na-2H]- 291.03627 159.3
[M]+ 270.06105 152.8
[M]- 270.06215 152.8
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

patents stripe