CID 2782774

2,4-dichloro-5-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula

C₅HCl₂F₃N₂

SMILES

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

InChI

InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H

InChIKey

IDRUEHMBFUJKAK-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-(trifluoromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2552
Patents: 215.94688 Da
Monoisotopic Mass: 3.0
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]+	216.95416	131.1
[M+Na]+	238.93610	143.5
[M-H]-	214.93960	128.1
[M+NH4]+	233.98070	148.6
[M+K]+	254.91004	138.2
[M+H-H2O]+	198.94414	123.3
[M+HCOO]-	260.94508	139.7
[M+CH3COO]-	274.96073	183.5
[M+Na-2H]-	236.92155	137.8
[M]+	215.94633	130.0
[M]-	215.94743	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe