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: 11
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]+	206.047956	141.0
[M+Na]+	228.029898	152.0
[M-H]-	204.033404	143.8
[M+NH4]+	223.074503	156.9
[M+K]+	244.003838	146.7
[M+H-H2O]+	188.037940	132.3
[M+HCOO]-	250.038881	157.8
[M+CH3COO]-	264.054531	154.0
[M+Na-2H]-	226.015346	149.4
[M]+	205.04013142	142.8
[M]-	205.04122858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe