CID 84071270

2,6-dimethylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CC1=NC(=C(C=C1)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H8ClNO2S/c1-5-3-4-7(6(2)9-5)12(8,10)11/h3-4H,1-2H3
InChIKey
AJLSKIGTVLDSKG-UHFFFAOYSA-N
Compound name
2,6-dimethylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.99643 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.003706 136.4
[M+Na]+ 227.985648 148.1
[M-H]- 203.989154 140.0
[M+NH4]+ 223.030253 156.1
[M+K]+ 243.959588 144.0
[M+H-H2O]+ 187.993690 131.8
[M+HCOO]- 249.994631 149.7
[M+CH3COO]- 264.010281 180.6
[M+Na-2H]- 225.971096 141.1
[M]+ 204.99588142 141.7
[M]- 204.99697858 141.7
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