CID 165890950

3-(azetidin-3-yl)-5-(trifluoromethyl)-1,2-oxazole

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
C1C(CN1)C2=NOC(=C2)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)6-1-5(12-13-6)4-2-11-3-4/h1,4,11H,2-3H2
InChIKey
IZUPUCMWTYCPIT-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-5-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05104 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 132.0
[M+Na]+ 215.04026 139.5
[M-H]- 191.04376 131.7
[M+NH4]+ 210.08486 142.2
[M+K]+ 231.01420 140.7
[M+H-H2O]+ 175.04830 118.4
[M+HCOO]- 237.04924 146.7
[M+CH3COO]- 251.06489 180.8
[M+Na-2H]- 213.02571 137.0
[M]+ 192.05049 135.2
[M]- 192.05159 135.2
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.