CID 56766300

1426290-78-9

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
C1C(CN1)C2=NC(=NO2)C(F)(F)F
InChI
InChI=1S/C6H6F3N3O/c7-6(8,9)5-11-4(13-12-5)3-1-10-2-3/h3,10H,1-2H2
InChIKey
BVTRXHDZJOCKDV-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0463 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05358 132.5
[M+Na]+ 216.03552 140.4
[M-H]- 192.03902 130.9
[M+NH4]+ 211.08012 141.4
[M+K]+ 232.00946 141.7
[M+H-H2O]+ 176.04356 118.1
[M+HCOO]- 238.04450 146.3
[M+CH3COO]- 252.06015 180.7
[M+Na-2H]- 214.02097 137.7
[M]+ 193.04575 135.9
[M]- 193.04685 135.9
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.