CID 135410009

204394-59-2

Structural Information

Molecular Formula

C₁₀H₆F₃N₃O

SMILES

C1=CC(=CN=C1)C2=NC(=CC(=O)N2)C(F)(F)F

InChI

InChI=1S/C10H6F3N3O/c11-10(12,13)7-4-8(17)16-9(15-7)6-2-1-3-14-5-6/h1-5H,(H,15,16,17)

InChIKey

AXOWDDVEWIYBFK-UHFFFAOYSA-N

Compound name

2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 241.0463 Da
Monoisotopic Mass: 0.8
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]+	242.05358	148.6
[M+Na]+	264.03552	159.3
[M-H]-	240.03902	146.7
[M+NH4]+	259.08012	161.3
[M+K]+	280.00946	153.5
[M+H-H2O]+	224.04356	137.4
[M+HCOO]-	286.04450	164.2
[M+CH3COO]-	300.06015	187.1
[M+Na-2H]-	262.02097	155.7
[M]+	241.04575	143.4
[M]-	241.04685	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe