CID 16794584

7-bromo-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H6BrClO4S
SMILES
C1COC2=CC(=C(C=C2O1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C8H6BrClO4S/c9-5-3-6-7(14-2-1-13-6)4-8(5)15(10,11)12/h3-4H,1-2H2
InChIKey
JIWVNVJZJUBFFF-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.88586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.893136 144.8
[M+Na]+ 334.875078 158.6
[M-H]- 310.878584 153.9
[M+NH4]+ 329.919683 163.6
[M+K]+ 350.849018 149.0
[M+H-H2O]+ 294.883120 147.2
[M+HCOO]- 356.884061 153.6
[M+CH3COO]- 370.899711 193.5
[M+Na-2H]- 332.860526 154.5
[M]+ 311.88531142 168.7
[M]- 311.88640858 168.7
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

patents stripe