CID 58137114

4,6-dichloro-2-(methanesulfonylmethyl)pyrimidine

Structural Information

Molecular Formula
C6H6Cl2N2O2S
SMILES
CS(=O)(=O)CC1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C6H6Cl2N2O2S/c1-13(11,12)3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKey
XILOXVPSHDYAFO-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.9527 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95998 141.6
[M+Na]+ 262.94192 153.6
[M-H]- 238.94542 143.3
[M+NH4]+ 257.98652 158.8
[M+K]+ 278.91586 148.6
[M+H-H2O]+ 222.94996 136.8
[M+HCOO]- 284.95090 148.7
[M+CH3COO]- 298.96655 185.1
[M+Na-2H]- 260.92737 146.0
[M]+ 239.95215 147.5
[M]- 239.95325 147.5
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