CID 14685602

125903-84-6

Structural Information

Molecular Formula

C₁₁H₇F₃N₂O

SMILES

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

InChI

InChI=1S/C11H7F3N2O/c12-11(13,14)8-3-1-2-7(6-8)10-15-5-4-9(17)16-10/h1-6H,(H,15,16,17)

InChIKey

LZFFMRSTLMMQPT-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.05104 Da
Monoisotopic Mass: 1.8
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]+	241.05832	152.0
[M+Na]+	263.04026	163.4
[M+NH4]+	258.08486	157.0
[M+K]+	279.01420	157.7
[M-H]-	239.04376	149.8
[M+Na-2H]-	261.02571	158.6
[M]+	240.05049	152.7
[M]-	240.05159	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe