CID 10261244

161124-03-4

Structural Information

Molecular Formula
C5H5FN2S
SMILES
CSC1=NC=CC(=N1)F
InChI
InChI=1S/C5H5FN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
PTOVZQHGXMAESP-UHFFFAOYSA-N
Compound name
4-fluoro-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

144.01575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02303 121.9
[M+Na]+ 167.00497 132.5
[M-H]- 143.00847 122.3
[M+NH4]+ 162.04957 141.7
[M+K]+ 182.97891 129.9
[M+H-H2O]+ 127.01301 114.7
[M+HCOO]- 189.01395 138.9
[M+CH3COO]- 203.02960 172.4
[M+Na-2H]- 164.99042 127.4
[M]+ 144.01520 122.8
[M]- 144.01630 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe