CID 154578278

2171914-13-7

Structural Information

Molecular Formula
C7H4BrClO4S
SMILES
C1OC2=C(O1)C(=C(C=C2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H4BrClO4S/c8-4-1-2-5-6(13-3-12-5)7(4)14(9,10)11/h1-2H,3H2
InChIKey
GOKZUQQEUODVBQ-UHFFFAOYSA-N
Compound name
5-bromo-1,3-benzodioxole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.8702 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.87748 143.2
[M+Na]+ 320.85942 146.6
[M+NH4]+ 315.90402 148.1
[M+K]+ 336.83336 148.2
[M-H]- 296.86292 144.7
[M+Na-2H]- 318.84487 144.3
[M]+ 297.86965 143.6
[M]- 297.87075 143.6
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.