CID 117273802

2,6-dimethoxypyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO4S
SMILES
COC1=NC(=C(C=C1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C7H8ClNO4S/c1-12-6-4-3-5(14(8,10)11)7(9-6)13-2/h3-4H,1-2H3
InChIKey
ZVYQNOAGZOEXPH-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.98625 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99353 142.5
[M+Na]+ 259.97547 153.7
[M-H]- 235.97897 146.1
[M+NH4]+ 255.02007 160.7
[M+K]+ 275.94941 150.7
[M+H-H2O]+ 219.98351 137.5
[M+HCOO]- 281.98445 156.3
[M+CH3COO]- 296.00010 184.8
[M+Na-2H]- 257.96092 147.6
[M]+ 236.98570 150.7
[M]- 236.98680 150.7
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

No patent data available for this compound.