CID 50989182

5-bromo-2,4-dimethoxybenzene-1,3-disulfonyl dichloride

Structural Information

Molecular Formula
C8H7BrCl2O6S2
SMILES
COC1=C(C(=C(C=C1S(=O)(=O)Cl)Br)OC)S(=O)(=O)Cl
InChI
InChI=1S/C8H7BrCl2O6S2/c1-16-6-4(9)3-5(18(10,12)13)7(17-2)8(6)19(11,14)15/h3H,1-2H3
InChIKey
QCDPKOVPRRSBMX-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dimethoxybenzene-1,3-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.82446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.83174 151.9
[M+Na]+ 434.81368 167.1
[M-H]- 410.81718 159.5
[M+NH4]+ 429.85828 169.1
[M+K]+ 450.78762 153.1
[M+H-H2O]+ 394.82172 154.7
[M+HCOO]- 456.82266 154.4
[M+CH3COO]- 470.83831 208.1
[M+Na-2H]- 432.79913 157.9
[M]+ 411.82391 180.0
[M]- 411.82501 180.0
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

No patent data available for this compound.