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

48
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 156.4
[M+Na]+ 292.96774 174.3
[M+NH4]+ 288.01234 166.4
[M+K]+ 308.94168 162.6
[M-H]- 268.97124 161.1
[M+Na-2H]- 290.95319 166.1
[M]+ 269.97797 161.7
[M]- 269.97907 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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