CID 15567167

3,5-dimethoxybenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

235.99101 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe