CID 89809373

2-chloro-6-methanesulfonylpyrazine

Structural Information

Molecular Formula
C5H5ClN2O2S
SMILES
CS(=O)(=O)C1=CN=CC(=N1)Cl
InChI
InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKey
CZGUWBQPZNNYEV-UHFFFAOYSA-N
Compound name
2-chloro-6-methylsulfonylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

191.97603 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98331 136.5
[M+Na]+ 214.96525 150.1
[M+NH4]+ 210.00985 144.3
[M+K]+ 230.93919 142.6
[M-H]- 190.96875 136.4
[M+Na-2H]- 212.95070 142.7
[M]+ 191.97548 139.1
[M]- 191.97658 139.1
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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