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]+ 159.038676 126.2
[M+Na]+ 181.020618 137.2
[M-H]- 157.024124 126.8
[M+NH4]+ 176.065223 145.7
[M+K]+ 196.994558 134.4
[M+H-H2O]+ 141.028660 119.0
[M+HCOO]- 203.029601 142.8
[M+CH3COO]- 217.045251 176.5
[M+Na-2H]- 179.006066 130.5
[M]+ 158.03085142 127.8
[M]- 158.03194858 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.