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 145.0
[M+Na]+ 320.85942 160.7
[M-H]- 296.86292 154.8
[M+NH4]+ 315.90402 166.4
[M+K]+ 336.83336 151.0
[M+H-H2O]+ 280.86746 148.4
[M+HCOO]- 342.86840 156.2
[M+CH3COO]- 356.88405 190.2
[M+Na-2H]- 318.84487 153.5
[M]+ 297.86965 170.6
[M]- 297.87075 170.6
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.