CID 63185139

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

Structural Information

Molecular Formula
C8H4F3N3O
SMILES
C1=C(C=C(C(=C1F)F)F)C2=NN=C(O2)N
InChI
InChI=1S/C8H4F3N3O/c9-4-1-3(2-5(10)6(4)11)7-13-14-8(12)15-7/h1-2H,(H2,12,14)
InChIKey
QLPFFQQHAWKRAZ-UHFFFAOYSA-N
Compound name
5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03792 138.6
[M+Na]+ 238.01986 150.9
[M-H]- 214.02336 140.5
[M+NH4]+ 233.06446 155.1
[M+K]+ 253.99380 147.8
[M+H-H2O]+ 198.02790 128.6
[M+HCOO]- 260.02884 159.7
[M+CH3COO]- 274.04449 188.3
[M+Na-2H]- 236.00531 142.7
[M]+ 215.03009 136.1
[M]- 215.03119 136.1
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.