CID 116632993

4-chloro-2-(1-methanesulfonylethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CC1=CC(=NC(=N1)C(C)S(=O)(=O)C)Cl
InChI
InChI=1S/C8H11ClN2O2S/c1-5-4-7(9)11-8(10-5)6(2)14(3,12)13/h4,6H,1-3H3
InChIKey
JJRHUGBHLANAGX-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 149.6
[M+Na]+ 257.01220 162.6
[M+NH4]+ 252.05680 156.8
[M+K]+ 272.98614 155.5
[M-H]- 233.01570 149.3
[M+Na-2H]- 254.99765 154.6
[M]+ 234.02243 152.1
[M]- 234.02353 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.