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

1
Patents

204.99643 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 136.4
[M+Na]+ 227.98565 148.1
[M-H]- 203.98915 140.0
[M+NH4]+ 223.03025 156.1
[M+K]+ 243.95959 144.0
[M+H-H2O]+ 187.99369 131.8
[M+HCOO]- 249.99463 149.7
[M+CH3COO]- 264.01028 180.6
[M+Na-2H]- 225.97110 141.1
[M]+ 204.99588 141.7
[M]- 204.99698 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