CID 22665537

2,3-dimethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO4S
SMILES
COC1=C(C(=CC=C1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C8H9ClO4S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11/h3-5H,1-2H3
InChIKey
HWBGESNUXOCFIT-UHFFFAOYSA-N
Compound name
2,3-dimethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

235.99101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.998286 142.7
[M+Na]+ 258.980228 153.6
[M-H]- 234.983734 147.6
[M+NH4]+ 254.024833 162.4
[M+K]+ 274.954168 150.5
[M+H-H2O]+ 218.988270 138.5
[M+HCOO]- 280.989211 157.6
[M+CH3COO]- 295.004861 185.1
[M+Na-2H]- 256.965676 147.4
[M]+ 235.99046142 150.9
[M]- 235.99155858 150.9
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