CID 623101

4,6-dichloro-2-methylthio-5-phenylpyrimidine

Structural Information

Molecular Formula
C11H8Cl2N2S
SMILES
CSC1=NC(=C(C(=N1)Cl)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
LMTMZMBTPXASSW-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

269.97852 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98580 150.8
[M+Na]+ 292.96774 162.7
[M-H]- 268.97124 155.0
[M+NH4]+ 288.01234 166.9
[M+K]+ 308.94168 155.8
[M+H-H2O]+ 252.97578 144.2
[M+HCOO]- 314.97672 158.6
[M+CH3COO]- 328.99237 163.2
[M+Na-2H]- 290.95319 154.0
[M]+ 269.97797 155.9
[M]- 269.97907 155.9
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.