CID 518310

198953-53-6

Structural Information

Molecular Formula

C₇H₅F₃N₄O

SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)C(F)(F)F

InChI

InChI=1S/C7H5F3N4O/c1-3-2-4(15)14-6(11-3)12-5(13-14)7(8,9)10/h2H,1H3,(H,11,12,13)

InChIKey

RCFXSBDEUTWHMQ-UHFFFAOYSA-N

Compound name

5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 218.04155 Da
Monoisotopic Mass: 0.6
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]+	219.04883	142.9
[M+Na]+	241.03077	152.9
[M+NH4]+	236.07537	146.7
[M+K]+	257.00471	150.9
[M-H]-	217.03427	137.1
[M+Na-2H]-	239.01622	146.0
[M]+	218.04100	142.3
[M]-	218.04210	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe