CID 19693883

1137576-60-3

Structural Information

Molecular Formula
C5H4Cl2N2S
SMILES
CSC1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C5H4Cl2N2S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKey
OYUCPHYZEOODST-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.94722 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.95450 129.6
[M+Na]+ 216.93644 141.5
[M-H]- 192.93994 130.9
[M+NH4]+ 211.98104 148.8
[M+K]+ 232.91038 136.7
[M+H-H2O]+ 176.94448 124.8
[M+HCOO]- 238.94542 137.8
[M+CH3COO]- 252.96107 179.5
[M+Na-2H]- 214.92189 133.8
[M]+ 193.94667 134.2
[M]- 193.94777 134.2
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