CID 20120420

5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C4H4F3N3O
SMILES
C(C1=NN=C(O1)N)C(F)(F)F
InChI
InChI=1S/C4H4F3N3O/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10)
InChIKey
BLTDEAFEHVWPNN-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.03064 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03792 126.5
[M+Na]+ 190.01986 136.6
[M-H]- 166.02336 124.4
[M+NH4]+ 185.06446 144.5
[M+K]+ 205.99380 136.0
[M+H-H2O]+ 150.02790 117.6
[M+HCOO]- 212.02884 145.7
[M+CH3COO]- 226.04449 176.9
[M+Na-2H]- 188.00531 133.4
[M]+ 167.03009 122.8
[M]- 167.03119 122.8
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

patents stripe