CID 25105360

4-chloro-2,6-bis(methylsulfanyl)pyrimidine

Structural Information

Molecular Formula
C6H7ClN2S2
SMILES
CSC1=CC(=NC(=N1)SC)Cl
InChI
InChI=1S/C6H7ClN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey
RQMRUYLUNFRFJJ-UHFFFAOYSA-N
Compound name
4-chloro-2,6-bis(methylsulfanyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.97392 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98120 139.7
[M+Na]+ 228.96314 153.9
[M+NH4]+ 224.00774 149.4
[M+K]+ 244.93708 142.7
[M-H]- 204.96664 142.1
[M+Na-2H]- 226.94859 145.5
[M]+ 205.97337 143.7
[M]- 205.97447 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.