CID 21279278

N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide

Structural Information

Molecular Formula
C6H5F3N2O2
SMILES
CC(=O)NC1=CC(=NO1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12)
InChIKey
KKHMJANPVRFCAR-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03760 133.4
[M+Na]+ 217.01954 142.7
[M-H]- 193.02304 133.1
[M+NH4]+ 212.06414 151.8
[M+K]+ 232.99348 142.5
[M+H-H2O]+ 177.02758 125.2
[M+HCOO]- 239.02852 153.4
[M+CH3COO]- 253.04417 182.1
[M+Na-2H]- 215.00499 139.3
[M]+ 194.02977 130.9
[M]- 194.03087 130.9
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