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]+ 175.043286 130.3
[M+Na]+ 197.025228 142.2
[M-H]- 173.028734 130.5
[M+NH4]+ 192.069833 149.6
[M+K]+ 212.999168 138.3
[M+H-H2O]+ 157.033270 123.5
[M+HCOO]- 219.034211 147.1
[M+CH3COO]- 233.049861 180.7
[M+Na-2H]- 195.010676 136.6
[M]+ 174.03546142 132.3
[M]- 174.03655858 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.