CID 81724425

4-chloro-5-methoxy-6-(methylsulfanyl)pyrimidine

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
COC1=C(N=CN=C1Cl)SC
InChI
InChI=1S/C6H7ClN2OS/c1-10-4-5(7)8-3-9-6(4)11-2/h3H,1-2H3
InChIKey
AYJACRAIKZMDOO-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-6-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99677 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 132.4
[M+Na]+ 212.98599 143.8
[M-H]- 188.98949 134.3
[M+NH4]+ 208.03059 151.4
[M+K]+ 228.95993 140.2
[M+H-H2O]+ 172.99403 126.7
[M+HCOO]- 234.99497 145.7
[M+CH3COO]- 249.01062 179.6
[M+Na-2H]- 210.97144 136.9
[M]+ 189.99622 138.2
[M]- 189.99732 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

No patent data available for this compound.