CID 533817

Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H8Cl2N2O2S
SMILES
CCOC(=O)C1=C(N=C(N=C1Cl)SC)Cl
InChI
InChI=1S/C8H8Cl2N2O2S/c1-3-14-7(13)4-5(9)11-8(15-2)12-6(4)10/h3H2,1-2H3
InChIKey
HXNWMDJXIPNHBK-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

265.96835 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97563 154.5
[M+Na]+ 288.95757 168.6
[M+NH4]+ 284.00217 162.2
[M+K]+ 304.93151 159.9
[M-H]- 264.96107 155.0
[M+Na-2H]- 286.94302 159.4
[M]+ 265.96780 157.6
[M]- 265.96890 157.6
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