CID 13195833

4,6-dimethoxybenzene-1,3-disulfonyl dichloride

Structural Information

Molecular Formula
C8H8Cl2O6S2
SMILES
COC1=CC(=C(C=C1S(=O)(=O)Cl)S(=O)(=O)Cl)OC
InChI
InChI=1S/C8H8Cl2O6S2/c1-15-5-3-6(16-2)8(18(10,13)14)4-7(5)17(9,11)12/h3-4H,1-2H3
InChIKey
SDKJJAKGOABBBD-UHFFFAOYSA-N
Compound name
4,6-dimethoxybenzene-1,3-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

333.91394 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.921216 160.4
[M+Na]+ 356.903158 171.2
[M-H]- 332.906664 165.1
[M+NH4]+ 351.947763 176.3
[M+K]+ 372.877098 166.2
[M+H-H2O]+ 316.911200 157.4
[M+HCOO]- 378.912141 164.0
[M+CH3COO]- 392.927791 198.5
[M+Na-2H]- 354.888606 163.8
[M]+ 333.91339142 170.8
[M]- 333.91448858 170.8
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