CID 24903629

608515-90-8

Structural Information

Molecular Formula

C₆H₅F₃N₂O

SMILES

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

InChI

InChI=1S/C6H5F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-2,12H,3H2

InChIKey

OXTLPDJYINUPDW-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)pyrimidin-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 178.0354 Da
Monoisotopic Mass: 0.2
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]+	179.04268	136.7
[M+Na]+	201.02462	146.0
[M+NH4]+	196.06922	141.5
[M+K]+	216.99856	141.7
[M-H]-	177.02812	132.1
[M+Na-2H]-	199.01007	141.0
[M]+	178.03485	136.3
[M]-	178.03595	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe