CID 11311500

438249-84-4

Structural Information

Molecular Formula

C₁₀H₅ClF₃N₃

SMILES

C1=CC=NC(=C1)C2=NC(=CC(=N2)Cl)C(F)(F)F

InChI

InChI=1S/C10H5ClF3N3/c11-8-5-7(10(12,13)14)16-9(17-8)6-3-1-2-4-15-6/h1-5H

InChIKey

NPRHEFXGFBGECS-UHFFFAOYSA-N

Compound name

4-chloro-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 259.01242 Da
Monoisotopic Mass: 2.7
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]+	260.01970	149.5
[M+Na]+	282.00164	161.1
[M-H]-	258.00514	148.6
[M+NH4]+	277.04624	163.1
[M+K]+	297.97558	154.7
[M+H-H2O]+	242.00968	138.3
[M+HCOO]-	304.01062	161.5
[M+CH3COO]-	318.02627	192.1
[M+Na-2H]-	279.98709	156.7
[M]+	259.01187	147.5
[M]-	259.01297	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe