CID 167733959

4-fluoro-6-methyl-2-(methylsulfanyl)pyrimidine

Structural Information

Molecular Formula
C6H7FN2S
SMILES
CC1=CC(=NC(=N1)SC)F
InChI
InChI=1S/C6H7FN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKey
LVGORBCFMLYHFL-UHFFFAOYSA-N
Compound name
4-fluoro-6-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03868 126.2
[M+Na]+ 181.02062 137.2
[M-H]- 157.02412 126.8
[M+NH4]+ 176.06522 145.7
[M+K]+ 196.99456 134.4
[M+H-H2O]+ 141.02866 119.0
[M+HCOO]- 203.02960 142.8
[M+CH3COO]- 217.04525 176.5
[M+Na-2H]- 179.00607 130.5
[M]+ 158.03085 127.8
[M]- 158.03195 127.8
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.