CID 14007756

2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula

C₅H₃F₃N₂

SMILES

C1=CN=C(N=C1)C(F)(F)F

InChI

InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H

InChIKey

BQDJLAWUTBCDHK-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1033
Patents: 148.02483 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]+	149.03211	129.0
[M+Na]+	171.01405	139.2
[M+NH4]+	166.05865	134.9
[M+K]+	186.98799	134.2
[M-H]-	147.01755	125.5
[M+Na-2H]-	168.99950	134.8
[M]+	148.02428	129.2
[M]-	148.02538	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe