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

899
Patents

235.99101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99829 142.7
[M+Na]+ 258.98023 153.6
[M-H]- 234.98373 147.6
[M+NH4]+ 254.02483 162.4
[M+K]+ 274.95417 150.5
[M+H-H2O]+ 218.98827 138.5
[M+HCOO]- 280.98921 157.6
[M+CH3COO]- 295.00486 185.1
[M+Na-2H]- 256.96568 147.4
[M]+ 235.99046 150.9
[M]- 235.99156 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