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]+ 237.993526 142.5
[M+Na]+ 259.975468 153.7
[M-H]- 235.978974 146.1
[M+NH4]+ 255.020073 160.7
[M+K]+ 275.949408 150.7
[M+H-H2O]+ 219.983510 137.5
[M+HCOO]- 281.984451 156.3
[M+CH3COO]- 296.000101 184.8
[M+Na-2H]- 257.960916 147.6
[M]+ 236.98570142 150.7
[M]- 236.98679858 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.