CID 2763395

77168-31-1

Structural Information

Molecular Formula
C10H8ClN3
SMILES
CC1=CC(=NC(=N1)C2=CC=CC=N2)Cl
InChI
InChI=1S/C10H8ClN3/c1-7-6-9(11)14-10(13-7)8-4-2-3-5-12-8/h2-6H,1H3
InChIKey
QXTIZJZQBKJJCB-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-pyridin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04796 141.0
[M+Na]+ 228.02990 152.0
[M-H]- 204.03340 143.8
[M+NH4]+ 223.07450 156.9
[M+K]+ 244.00384 146.7
[M+H-H2O]+ 188.03794 132.3
[M+HCOO]- 250.03888 157.8
[M+CH3COO]- 264.05453 154.0
[M+Na-2H]- 226.01535 149.4
[M]+ 205.04013 142.8
[M]- 205.04123 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe