CID 121415333

140911-30-4

Structural Information

Molecular Formula

C₆H₃F₃N₄O

SMILES

C1=CN2C(=NN=C2C(F)(F)F)C(=O)N1

InChI

InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-11-3-4(14)10-1-2-13(3)5/h1-2H,(H,10,14)

InChIKey

AKSBEPXPVPRRHX-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.0259 Da
Monoisotopic Mass: -0.2
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]+	205.03318	136.1
[M+Na]+	227.01512	149.5
[M-H]-	203.01862	131.6
[M+NH4]+	222.05972	152.3
[M+K]+	242.98906	144.8
[M+H-H2O]+	187.02316	126.2
[M+HCOO]-	249.02410	152.4
[M+CH3COO]-	263.03975	179.6
[M+Na-2H]-	225.00057	144.1
[M]+	204.02535	133.7
[M]-	204.02645	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe