CID 43557479

4-chloro-2-(3-fluorophenyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C11H8ClFN2
SMILES
CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)Cl
InChI
InChI=1S/C11H8ClFN2/c1-7-5-10(12)15-11(14-7)8-3-2-4-9(13)6-8/h2-6H,1H3
InChIKey
CYQAJZLVYSANJZ-UHFFFAOYSA-N
Compound name
4-chloro-2-(3-fluorophenyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03601 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04329 143.2
[M+Na]+ 245.02523 154.8
[M-H]- 221.02873 146.3
[M+NH4]+ 240.06983 160.0
[M+K]+ 260.99917 148.9
[M+H-H2O]+ 205.03327 134.5
[M+HCOO]- 267.03421 160.1
[M+CH3COO]- 281.04986 156.3
[M+Na-2H]- 243.01068 149.7
[M]+ 222.03546 144.3
[M]- 222.03656 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.