CID 12397672

4-chloro-2-methanesulfonyl-6-methylpyrimidine

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
CC1=CC(=NC(=N1)S(=O)(=O)C)Cl
InChI
InChI=1S/C6H7ClN2O2S/c1-4-3-5(7)9-6(8-4)12(2,10)11/h3H,1-2H3
InChIKey
OLOLDTJCNAOMQJ-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

205.99167 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99895 136.6
[M+Na]+ 228.98089 148.7
[M-H]- 204.98439 138.9
[M+NH4]+ 224.02549 154.9
[M+K]+ 244.95483 144.7
[M+H-H2O]+ 188.98893 131.3
[M+HCOO]- 250.98987 148.9
[M+CH3COO]- 265.00552 180.3
[M+Na-2H]- 226.96634 141.7
[M]+ 205.99112 141.9
[M]- 205.99222 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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