CID 135424600

5-bromo-6-(trifluoromethyl)pyrimidin-4-ol

Structural Information

Molecular Formula

C₅H₂BrF₃N₂O

SMILES

C1=NC(=C(C(=O)N1)Br)C(F)(F)F

InChI

InChI=1S/C5H2BrF3N2O/c6-2-3(5(7,8)9)10-1-11-4(2)12/h1H,(H,10,11,12)

InChIKey

GUMRBYBFTLXIKZ-UHFFFAOYSA-N

Compound name

5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 241.93027 Da
Monoisotopic Mass: 1.1
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]+	242.93755	137.7
[M+Na]+	264.91949	152.1
[M-H]-	240.92299	137.4
[M+NH4]+	259.96409	156.1
[M+K]+	280.89343	139.8
[M+H-H2O]+	224.92753	135.5
[M+HCOO]-	286.92847	153.0
[M+CH3COO]-	300.94412	183.9
[M+Na-2H]-	262.90494	145.8
[M]+	241.92972	151.6
[M]-	241.93082	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe