CID 71758068

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

Structural Information

Molecular Formula
C3H2F3N3O
SMILES
C1(=NOC(=N1)N)C(F)(F)F
InChI
InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9)
InChIKey
JLJOXFKBHBRFNH-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.02228 121.8
[M+Na]+ 176.00422 132.3
[M-H]- 152.00772 119.8
[M+NH4]+ 171.04882 140.3
[M+K]+ 191.97816 132.0
[M+H-H2O]+ 136.01226 113.1
[M+HCOO]- 198.01320 141.4
[M+CH3COO]- 212.02885 173.8
[M+Na-2H]- 173.98967 129.2
[M]+ 153.01445 117.7
[M]- 153.01555 117.7
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.