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 144.8
[M+Na]+ 334.87508 158.6
[M-H]- 310.87858 153.9
[M+NH4]+ 329.91968 163.6
[M+K]+ 350.84902 149.0
[M+H-H2O]+ 294.88312 147.2
[M+HCOO]- 356.88406 153.6
[M+CH3COO]- 370.89971 193.5
[M+Na-2H]- 332.86053 154.5
[M]+ 311.88531 168.7
[M]- 311.88641 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

No patent data available for this compound.