CID 21938

5711-64-8

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)N
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKey
SFKXKVUEXCFQLZ-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

229.0463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05358 143.3
[M+Na]+ 252.03552 153.8
[M-H]- 228.03902 144.7
[M+NH4]+ 247.08012 158.8
[M+K]+ 268.00946 151.0
[M+H-H2O]+ 212.04356 133.3
[M+HCOO]- 274.04450 162.5
[M+CH3COO]- 288.06015 188.7
[M+Na-2H]- 250.02097 149.2
[M]+ 229.04575 139.7
[M]- 229.04685 139.7
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