CID 13590680

2-(trifluoromethyl)pyrimidin-5-ol

Structural Information

Molecular Formula

C₅H₃F₃N₂O

SMILES

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

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H

InChIKey

QPAXXIOBBIIATH-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)pyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 164.01974 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]+	165.02702	132.5
[M+Na]+	187.00896	142.0
[M+NH4]+	182.05356	137.5
[M+K]+	202.98290	137.9
[M-H]-	163.01246	128.0
[M+Na-2H]-	184.99441	137.0
[M]+	164.01919	132.2
[M]-	164.02029	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe