CID 22002465

4,6-dichloro-5-methyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C6H6Cl2N2S
SMILES
CC1=C(N=C(N=C1Cl)SC)Cl
InChI
InChI=1S/C6H6Cl2N2S/c1-3-4(7)9-6(11-2)10-5(3)8/h1-2H3
InChIKey
HMZPZWSEUHDAKM-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

207.96288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97016 133.9
[M+Na]+ 230.95210 146.2
[M-H]- 206.95560 135.4
[M+NH4]+ 225.99670 152.8
[M+K]+ 246.92604 141.1
[M+H-H2O]+ 190.96014 129.2
[M+HCOO]- 252.96108 141.7
[M+CH3COO]- 266.97673 183.5
[M+Na-2H]- 228.93755 136.9
[M]+ 207.96233 139.2
[M]- 207.96343 139.2
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