CID 72210834

1196153-16-8

Structural Information

Molecular Formula

C₇H₆F₃N₃O

SMILES

C1CN2C(=CC(=N2)C(F)(F)F)C(=O)N1

InChI

InChI=1S/C7H6F3N3O/c8-7(9,10)5-3-4-6(14)11-1-2-13(4)12-5/h3H,1-2H2,(H,11,14)

InChIKey

KTLKJEDERSICIL-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.0463 Da
Monoisotopic Mass: 0.5
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]+	206.05358	139.9
[M+Na]+	228.03552	149.9
[M-H]-	204.03902	135.4
[M+NH4]+	223.08012	157.2
[M+K]+	244.00946	146.0
[M+H-H2O]+	188.04356	130.6
[M+HCOO]-	250.04450	153.0
[M+CH3COO]-	264.06015	180.4
[M+Na-2H]-	226.02097	144.6
[M]+	205.04575	133.0
[M]-	205.04685	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe