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

1
Patents

234.02298 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.030256 144.5
[M+Na]+ 257.012198 155.4
[M-H]- 233.015704 146.6
[M+NH4]+ 252.056803 161.7
[M+K]+ 272.986138 151.5
[M+H-H2O]+ 217.020240 139.0
[M+HCOO]- 279.021181 155.2
[M+CH3COO]- 293.036831 187.2
[M+Na-2H]- 254.997646 147.8
[M]+ 234.02243142 150.0
[M]- 234.02352858 150.0
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