CID 57757768

98814-28-9

Structural Information

Molecular Formula
C6H6Cl2N2O2S
SMILES
CC1=C(N=C(N=C1Cl)S(=O)(=O)C)Cl
InChI
InChI=1S/C6H6Cl2N2O2S/c1-3-4(7)9-6(10-5(3)8)13(2,11)12/h1-2H3
InChIKey
PFBXJKYMQNTIEN-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methyl-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

239.9527 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95998 141.2
[M+Na]+ 262.94192 154.0
[M-H]- 238.94542 143.2
[M+NH4]+ 257.98652 158.7
[M+K]+ 278.91586 149.1
[M+H-H2O]+ 222.94996 136.7
[M+HCOO]- 284.95090 148.3
[M+CH3COO]- 298.96655 186.2
[M+Na-2H]- 260.92737 144.9
[M]+ 239.95215 147.4
[M]- 239.95325 147.4
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.