CID 138039641

2241129-63-3

Structural Information

Molecular Formula
C8H6BrClO4S
SMILES
C1COC2=C(O1)C=C(C=C2Br)S(=O)(=O)Cl
InChI
InChI=1S/C8H6BrClO4S/c9-6-3-5(15(10,11)12)4-7-8(6)14-2-1-13-7/h3-4H,1-2H2
InChIKey
JKLRXFQLRIUFDQ-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.88586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.89314 141.6
[M+Na]+ 334.87508 145.9
[M+NH4]+ 329.91968 146.8
[M+K]+ 350.84902 145.9
[M-H]- 310.87858 143.9
[M+Na-2H]- 332.86053 144.0
[M]+ 311.88531 142.5
[M]- 311.88641 142.5
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.