CID 23562708

4-chloro-5-methyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C6H7ClN2S
SMILES
CC1=CN=C(N=C1Cl)SC
InChI
InChI=1S/C6H7ClN2S/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3
InChIKey
QZXWPYARYIQHIS-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

174.00185 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00913 132.9
[M+Na]+ 196.99107 147.9
[M+NH4]+ 192.03567 142.5
[M+K]+ 212.96501 138.4
[M-H]- 172.99457 135.0
[M+Na-2H]- 194.97652 140.0
[M]+ 174.00130 136.5
[M]- 174.00240 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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