CID 22831971

83551-42-2

Structural Information

Molecular Formula

C₁₀H₈ClN₃

SMILES

CC1=CC(=NC(=N1)C2=CN=CC=C2)Cl

InChI

InChI=1S/C10H8ClN3/c1-7-5-9(11)14-10(13-7)8-3-2-4-12-6-8/h2-6H,1H3

InChIKey

CTAGJBGOBMTVOG-UHFFFAOYSA-N

Compound name

4-chloro-6-methyl-2-pyridin-3-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 205.04068 Da
Monoisotopic Mass: 2.2
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]+	206.04796	141.6
[M+Na]+	228.02990	159.3
[M+NH4]+	223.07450	150.7
[M+K]+	244.00384	150.7
[M-H]-	204.03340	145.4
[M+Na-2H]-	226.01535	152.7
[M]+	205.04013	145.7
[M]-	205.04123	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe