CID 3073007

145440-85-3

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CC1=CC(=NO1)C(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKey
OVBQZMCOZUJNCE-UHFFFAOYSA-N
Compound name
5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

270.0616 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe