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 133.0
[M+Na]+ 228.96314 144.4
[M-H]- 204.96664 134.8
[M+NH4]+ 224.00774 151.7
[M+K]+ 244.93708 139.0
[M+H-H2O]+ 188.97118 127.8
[M+HCOO]- 250.97212 140.4
[M+CH3COO]- 264.98777 182.5
[M+Na-2H]- 226.94859 134.9
[M]+ 205.97337 137.8
[M]- 205.97447 137.8
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.