CID 137025

2,5-dimethoxybenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

999
Patents

235.99101 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe