CID 66000029

4-chloro-2-ethyl-5-fluoro-6-methylpyrimidine

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CCC1=NC(=C(C(=N1)Cl)F)C
InChI
InChI=1S/C7H8ClFN2/c1-3-5-10-4(2)6(9)7(8)11-5/h3H2,1-2H3
InChIKey
OGYIPDXAQQKMJG-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-5-fluoro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03601 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04329 130.3
[M+Na]+ 197.02523 142.2
[M-H]- 173.02873 130.5
[M+NH4]+ 192.06983 149.6
[M+K]+ 212.99917 138.3
[M+H-H2O]+ 157.03327 123.5
[M+HCOO]- 219.03421 147.1
[M+CH3COO]- 233.04986 180.7
[M+Na-2H]- 195.01068 136.6
[M]+ 174.03546 132.3
[M]- 174.03656 132.3
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.