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]+ 300.90578 136.0
[M+Na]+ 322.88772 140.9
[M-H]- 298.89122 131.3
[M+NH4]+ 317.93232 150.4
[M+K]+ 338.86166 142.6
[M+H-H2O]+ 282.89576 127.1
[M+HCOO]- 344.89670 144.5
[M+CH3COO]- 358.91235 190.1
[M+Na-2H]- 320.87317 128.2
[M]+ 299.89795 138.2
[M]- 299.89905 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