CID 522630

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

Structural Information

Molecular Formula

C₃H₂F₃N₃O

SMILES

C1(=NN=C(O1)N)C(F)(F)F

InChI

InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)

InChIKey

VMBAPDLMDFSJBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 105
Patents: 153.015 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe