CID 13636518

4-chloro-5-iodo-6-methyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C6H6ClIN2S
SMILES
CC1=C(C(=NC(=N1)SC)Cl)I
InChI
InChI=1S/C6H6ClIN2S/c1-3-4(8)5(7)10-6(9-3)11-2/h1-2H3
InChIKey
WCIOJCXAPLZUIT-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-6-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

299.8985 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.905776 136.0
[M+Na]+ 322.887718 140.9
[M-H]- 298.891224 131.3
[M+NH4]+ 317.932323 150.4
[M+K]+ 338.861658 142.6
[M+H-H2O]+ 282.895760 127.1
[M+HCOO]- 344.896701 144.5
[M+CH3COO]- 358.912351 190.1
[M+Na-2H]- 320.873166 128.2
[M]+ 299.89795142 138.2
[M]- 299.89904858 138.2
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

patents stripe